Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr1 229568410 . G A CCDS1578.1:NM_001100.3:c.347gCc>gTc_NP_001091.1:p.116A>V Homo sapiens actin, alpha 1, skeletal muscle (ACTA1), mRNA.
pdb_id: 
label_asym_id: 
label_seq_id: 
label_comp_id: 
auth_asym_id: 
auth_seq_id: 
alphafold_id: 
label_asym_id: 
label_seq_id: 
label_comp_id: 
auth_asym_id: 
auth_seq_id: 

PDB

Entity Residue Monomer BioUnit Ligand View
PDB Entity Uniprot Identity Evalue ExpMethod Date Name Label Auth ASA rASA SS φ ψ ASA rASA ΔASA Interaction Name Distance Atom(p) Atom(l)
1eqy 2 P68135 100.0 0.0 X-RAY
 2000-05-03 ALA B:116 A:114 65.0 0.565 H -71.1 -20.3 65.0 0.565 0.0 HOH
 2.820
 N
 O
1esv 2 P68135 100.0 0.0 X-RAY
 2000-07-19 ALA B:116 A:114 66.0 0.574 H -63.5 -30.5 66.0 0.574 0.0 HOH
 3.026
 O
 O
1ijj 1 P68135 100.0 0.0 X-RAY
 2002-04-15 ALA A:116 A:114 68.0 0.591 H -54.4 -66.5 68.0 0.591 0.0 HOH
 5.554
 N
 O
ALA B:116 B:514 72.0 0.626 H -54.8 -48.5 NA NA NA
1mdu 2 P68139 100.0 0.0 X-RAY
 2003-01-07 ALA B:116 B:116 65.0 0.565 H -59.4 -41.0 63.0 0.548 0.017 B:P68139:0.017
 HOH
 5.861
 CB
 O
ALA D:116 E:116 67.0 0.583 H -63.5 -34.4 NA NA NA
1p8z 2 P68135 100.0 0.0 X-RAY
 2003-10-14 ALA B:116 A:114 61.0 0.53 H -55.2 -44.4 61.0 0.53 0.0 HOH
 3.053
 N
 O
1rgi 2 P68135 100.0 0.0 X-RAY
 2004-07-27 ALA B:116 A:114 69.0 0.6 H -66.4 -32.3 69.0 0.6 0.0
1sqk 1 P68135 100.0 0.0 X-RAY
 2004-06-15 ALA A:116 A:114 76.0 0.661 H -53.7 -33.4 76.0 0.661 0.0 HOH
 2.871
 N
 O
2pbd 1 P68135 100.0 0.0 X-RAY
 2007-11-13 ALA A:116 A:114 71.0 0.617 H -64.0 -31.8 71.0 0.617 0.0 HOH
 2.832
 O
 O
2v51 1 P68135 100.0 0.0 X-RAY
 2008-11-25 ALA A:116 B:114 71.0 0.617 H -55.0 -37.7 71.0 0.617 0.0 SCN
HOH
 4.472
5.078
 CB
N
 S
O
ALA B:116 D:114 67.0 0.583 H -50.2 -36.4 67.0 0.583 0.0 HOH
 3.029
 N
 O
2v52 1 P68135 100.0 0.0 X-RAY
 2008-11-25 ALA A:116 B:114 67.0 0.583 H -59.1 -34.7 67.0 0.583 0.0 HOH
 2.889
 N
 O
2vyp 1 P68135 100.0 0.0 X-RAY
 2009-02-24 ALA A:116 A:114 73.0 0.635 H -59.9 -29.1 73.0 0.635 0.0 HOH
 9.864
 C
 O
ALA B:116 B:114 63.0 0.548 H -64.7 -42.6 NA NA NA
2yje 1 P68135 100.0 0.0 X-RAY
 2011-07-06 ALA A:116 A:114 70.0 0.609 H -54.0 -40.5 33.0 0.287 0.322 C:P68135:0.322
ALA B:116 B:114 79.0 0.687 H -53.9 -41.0 79.0 0.687 0.0
ALA C:116 C:114 72.0 0.626 H -54.9 -44.8 72.0 0.626 0.0
2yjf 1 P68135 100.0 0.0 X-RAY
 2011-07-06 ALA A:116 A:114 76.0 0.661 H -57.5 -43.0 76.0 0.661 0.0
ALA B:116 B:114 75.0 0.652 H -54.6 -42.9 75.0 0.652 0.0
ALA C:116 C:114 59.0 0.513 H -56.5 -42.7 59.0 0.513 0.0
ALA D:116 D:114 76.0 0.661 H -55.3 -43.0 NA NA NA
ALA E:116 E:114 75.0 0.652 H -55.7 -43.6 NA NA NA
3b5u 1 P68135 100.0 0.0 ELECTRON CRYSTALLOGRAPHY
 2008-04-15 ALA A:116 A:114 57.0 0.496 H -83.6 -10.6 57.0 0.496 0.0
ALA B:116 B:114 68.0 0.591 H -59.3 -42.5 68.0 0.591 0.0
ALA C:116 C:114 68.0 0.591 H -67.8 -18.1 68.0 0.591 0.0
ALA D:116 D:114 62.0 0.539 H -85.2 -13.9 62.0 0.539 0.0
ALA E:116 E:114 70.0 0.609 H -49.0 -28.8 41.0 0.357 0.252 D:P68135:0.252
ALA F:116 F:114 61.0 0.53 H -73.0 -28.6 61.0 0.53 0.0
ALA G:116 G:114 64.0 0.557 H -83.1 -22.0 64.0 0.557 0.0
ALA H:116 H:114 70.0 0.609 H -80.3 -23.4 70.0 0.609 0.0
ALA I:116 I:114 67.0 0.583 H -83.7 -15.6 67.0 0.583 0.0
ALA J:116 J:114 83.0 0.722 T -72.1 -15.9 23.0 0.2 0.522 I:P68135:0.522
ALA K:116 K:114 65.0 0.565 H -83.2 -8.2 65.0 0.565 0.0
ALA L:116 L:114 67.0 0.583 H -46.3 -36.6 28.0 0.243 0.34 K:P68135:0.339
ALA M:116 M:114 62.0 0.539 H -70.8 -26.6 15.0 0.13 0.409 L:P68135:0.409
ALA N:116 N:114 69.0 0.6 H -61.8 -31.3 28.0 0.243 0.357 M:P68135:0.357
3cjb 1 P68135 100.0 0.0 X-RAY
 2008-03-25 ALA A:116 A:114 67.0 0.583 H -48.9 -48.4 67.0 0.583 0.0
3cjc 1 P68135 100.0 0.0 X-RAY
 2008-03-25 ALA A:116 A:114 67.0 0.583 H -60.4 -45.2 67.0 0.583 0.0
3daw 1 P68135 100.0 0.0 X-RAY
 2008-07-29 ALA A:116 A:114 68.0 0.591 H -51.6 -34.4 68.0 0.591 0.0
3ffk 2 P68135 100.0 0.0 X-RAY
 2009-10-06 ALA B:116 B:114 69.0 0.6 H -60.7 -33.9 69.0 0.6 0.0 HOH
 2.898
 N
 O
ALA D:116 E:114 67.0 0.583 H -51.8 -40.8 NA NA NA
3j8i 1 P68135 100.0 0.0 EM
 2015-01-14 ALA A:116 D:114 56.0 0.487 H -53.9 -40.6 55.0 0.478 0.009 B:P68135:0.009
ALA B:116 E:114 56.0 0.487 H -52.7 -41.3 55.0 0.478 0.009 C:P68135:0.009
ALA C:116 F:114 57.0 0.496 H -54.8 -41.6 56.0 0.487 0.009 D:P68135:0.009
ALA D:116 G:114 57.0 0.496 H -54.4 -39.4 56.0 0.487 0.009 E:P68135:0.009
ALA E:116 H:114 56.0 0.487 H -52.5 -41.9 56.0 0.487 0.0
3j8j 1 P68135 100.0 0.0 EM
 2015-01-14 ALA A:116 A:114 55.0 0.478 H -69.9 -40.0 55.0 0.478 0.0
ALA B:116 B:114 55.0 0.478 H -69.9 -39.9 55.0 0.478 0.0
ALA C:116 C:114 54.0 0.47 H -70.0 -40.0 54.0 0.47 0.0
ALA D:116 D:114 54.0 0.47 H -70.0 -40.0 54.0 0.47 0.0
ALA E:116 E:114 55.0 0.478 H -70.0 -40.0 55.0 0.478 0.0
ALA F:116 F:114 55.0 0.478 H -69.9 -40.1 55.0 0.478 0.0
ALA G:116 G:114 54.0 0.47 H -69.9 -40.1 54.0 0.47 0.0
ALA H:116 H:114 54.0 0.47 H -70.0 -40.0 54.0 0.47 0.0
ALA I:116 I:114 55.0 0.478 H -70.0 -40.0 55.0 0.478 0.0
ALA J:116 J:114 54.0 0.47 H -70.0 -40.0 54.0 0.47 0.0
ALA K:116 K:114 55.0 0.478 H -70.0 -40.1 55.0 0.478 0.0
3j8k 1 P68135 100.0 0.0 EM
 2015-01-14 ALA A:116 A:114 65.0 0.565 H -62.0 -39.9 65.0 0.565 0.0
ALA B:116 B:114 63.0 0.548 H -60.0 -40.0 63.0 0.548 0.0
ALA C:116 C:114 72.0 0.626 H -60.1 -40.0 72.0 0.626 0.0
ALA D:116 D:114 61.0 0.53 H -60.0 -40.7 61.0 0.53 0.0
ALA E:116 E:114 51.0 0.443 H -60.1 -40.0 51.0 0.443 0.0
ALA F:116 F:114 59.0 0.513 H -60.2 -40.1 59.0 0.513 0.0
ALA G:116 G:114 64.0 0.557 H -60.8 -40.0 64.0 0.557 0.0
ALA H:116 H:114 52.0 0.452 H -60.2 -40.6 52.0 0.452 0.0
ALA I:116 I:114 66.0 0.574 H -60.0 -39.9 65.0 0.565 0.009 H:P68135:0.009
ALA J:116 J:114 68.0 0.591 H -59.4 -36.7 66.0 0.574 0.017 I:P68135:0.017
3tu5 1 P68135 100.0 0.0 X-RAY
 2012-09-26 ALA A:116 A:114 65.0 0.565 H -63.5 -26.1 65.0 0.565 0.0 HOH
 4.506
 N
 O
4eah 1 P68135 100.0 0.0 X-RAY
 2012-12-12 ALA A:116 D:114 59.0 0.513 H -80.9 -32.4 55.0 0.478 0.035 C:Q6ZPF4:0.035
ALA F:116 H:114 63.0 0.548 H -80.4 -32.5 NA NA NA
ALA G:116 G:114 60.0 0.522 H -79.5 -36.3 58.0 0.504 0.018 B:Q6ZPF4:0.017
ALA H:116 F:114 61.0 0.53 H -75.9 -34.7 NA NA NA
4pkg 1 P68135 100.0 0.0 X-RAY
 2014-07-30 ALA A:116 A:114 69.0 0.6 H -67.0 -31.9 69.0 0.6 0.0 HOH
 2.086
 H
 O
4pkh 1 P68135 100.0 0.0 X-RAY
 2014-07-30 ALA A:116 A:114 66.0 0.574 H -73.1 -29.1 66.0 0.574 0.0 HOH
 1.907
 H
 O
ALA C:116 D:114 67.0 0.583 H -60.6 -36.4 NA NA NA
ALA E:116 F:114 36.0 0.313 H -84.4 -13.7 NA NA NA
ALA G:116 I:114 51.0 0.443 H -76.4 -21.3 NA NA NA
4pki 1 P68135 100.0 0.0 X-RAY
 2014-07-30 ALA A:116 A:114 68.0 0.591 H -62.6 -30.0 23.0 0.2 0.391 B:P06396+P28289:0.391
 HOH
 3.539
 HB3
 O
4wyb 1 P68135 100.0 0.0 X-RAY
 2015-08-19 ALA A:116 A:114 59.0 0.513 H -62.8 -49.1 59.0 0.513 0.0
ALA C:116 C:114 58.0 0.504 H -62.1 -45.4 NA NA NA
ALA E:116 E:114 55.0 0.478 H -60.4 -48.2 NA NA NA
ALA G:116 G:114 57.0 0.496 H -61.1 -44.4 NA NA NA
ALA I:116 I:114 57.0 0.496 H -63.8 -50.2 NA NA NA
ALA K:116 K:114 54.0 0.47 H -64.4 -45.5 NA NA NA
ALA M:116 M:114 54.0 0.47 H -61.0 -45.4 NA NA NA
ALA O:116 O:114 53.0 0.461 H -64.0 -44.1 NA NA NA
ALA Q:116 Q:114 50.0 0.435 H -60.0 -42.2 NA NA NA
ALA S:116 S:114 56.0 0.487 H -62.4 -42.2 NA NA NA
ALA U:116 U:114 55.0 0.478 H -59.6 -42.9 NA NA NA
ALA W:116 X:114 58.0 0.504 H -59.6 -45.5 NA NA NA
4z94 1 P68135 100.0 0.0 X-RAY
 2015-10-21 ALA A:116 A:114 63.0 0.548 H -62.2 -32.7 16.0 0.139 0.409 B:P06396+P28289+P29536:0.409
 HOH
 5.633
 HB3
 O
5ubo 1 P68135 100.0 0.0 X-RAY
 2017-12-20 ALA A:116 A:114 67.0 0.583 H -64.5 -26.0 67.0 0.583 0.0 HOH
 7.380
 C
 O
5yee 1 P68135 100.0 0.0 X-RAY
 2018-09-19 ALA A:116 B:114 71.0 0.617 H -63.6 -38.1 71.0 0.617 0.0 HOH
 2.805
 O
 O
6av9 1 P68135 100.0 0.0 EM
 2018-01-17 ALA A:116 C:114 61.0 0.53 T -57.3 -21.7 55.0 0.478 0.052 C:P68135:0.052
ALA B:116 A:114 60.0 0.522 T -57.4 -21.6 53.0 0.461 0.061 A:P68135:0.061
ALA C:116 B:114 60.0 0.522 T -57.3 -21.7 60.0 0.522 0.0
6avb 1 P68135 100.0 0.0 EM
 2018-01-17 ALA A:116 C:114 58.0 0.504 T -56.2 -19.0 56.0 0.487 0.017 C:P68135:0.017
ALA B:116 A:114 57.0 0.496 T -56.2 -18.9 56.0 0.487 0.009 A:P68135:0.009
ALA C:116 B:114 57.0 0.496 T -56.2 -19.0 57.0 0.496 0.0
6bih 2 P68135 100.0 0.0 EM
 2018-09-19 ALA B:116 C:114 50.0 0.435 H -54.5 -39.2 50.0 0.435 0.0
6gvc 1 P68135 100.0 0.0 X-RAY
 2019-03-27 ALA A:116 B:114 68.0 0.591 H -62.7 -32.0 49.0 0.426 0.165 E:Q8C0D4:0.165
 HOH
 2.971
 N
 O
ALA B:116 A:114 70.0 0.609 H -60.3 -31.6 NA NA NA
ALA C:116 C:114 58.0 0.504 H -64.1 -35.3 NA NA NA
ALA D:116 D:114 69.0 0.6 H -68.4 -30.9 NA NA NA
6jbk 1 P68135 100.0 0.0 X-RAY
 2020-02-05 ALA A:116 A:114 71.0 0.617 H -60.4 -36.7 71.0 0.617 0.0 HOH
 6.904
 O
 O
ALA C:116 C:114 70.0 0.609 H -60.2 -36.7 NA NA NA
ALA E:116 E:114 70.0 0.609 H -62.5 -32.8 NA NA NA
ALA G:116 G:114 68.0 0.591 H -59.5 -37.8 NA NA NA
6jcu 1 P68135 100.0 0.0 X-RAY
 2020-02-05 ALA A:116 A:114 69.0 0.6 H -63.8 -30.9 69.0 0.6 0.0 HOH
 2.958
 O
 O
ALA C:116 C:114 73.0 0.635 H -63.4 -26.8 NA NA NA
6jh9 1 P68135 100.0 0.0 X-RAY
 2020-02-19 ALA A:116 A:114 67.0 0.583 H -63.0 -31.8 67.0 0.583 0.0 HOH
 2.861
 O
 O
6m5g 1 P68139 100.0 0.0 EM
 2020-05-20 ALA A:116 A:114 48.0 0.417 H -56.9 -27.6 48.0 0.417 0.0
ALA B:116 B:114 45.0 0.391 H -58.8 -28.5 44.0 0.383 0.008 A:P68139:0.009
ALA C:116 C:114 38.0 0.33 H -56.4 -28.7 38.0 0.33 0.0
ALA D:116 D:114 45.0 0.391 H -55.9 -27.5 43.0 0.374 0.017 C:P68139:0.017
ALA E:116 E:114 39.0 0.339 H -57.7 -32.7 39.0 0.339 0.0
6mgo 1 P68135 100.0 0.0 X-RAY
 2018-11-21 ALA A:116 A:114 71.0 0.617 H -64.8 -29.5 71.0 0.617 0.0 HOH
 7.865
 C
 O
6qri 1 P68135 100.0 0.0 X-RAY
 2019-07-03 ALA A:116 B:114 68.0 0.591 H -53.6 -50.1 68.0 0.591 0.0
ALA B:116 A:114 71.0 0.617 H -58.6 -36.4 NA NA NA
6u96 1 P68135 100.0 0.0 EM
 2020-05-13 ALA A:116 A:114 57.0 0.496 T -73.0 -9.8 57.0 0.496 0.0
ALA B:116 B:114 57.0 0.496 T -73.0 -9.8 57.0 0.496 0.0
ALA C:116 C:114 58.0 0.504 T -73.0 -9.8 58.0 0.504 0.0
ALA D:116 D:114 59.0 0.513 T -72.9 -9.8 59.0 0.513 0.0
ALA E:116 E:114 57.0 0.496 T -72.8 -9.9 57.0 0.496 0.0
6uby 1 P68135 100.0 0.0 EM
 2020-01-01 ALA A:116 A:114 65.0 0.565 H -61.8 -36.6 65.0 0.565 0.0
ALA B:116 B:114 65.0 0.565 H -61.7 -36.7 65.0 0.565 0.0
ALA C:116 C:114 65.0 0.565 H -61.9 -36.6 63.0 0.548 0.017 G:P68135:0.017
ALA D:116 D:114 63.0 0.548 H -61.8 -36.6 63.0 0.548 0.0
ALA E:116 E:114 63.0 0.548 H -61.9 -36.5 63.0 0.548 0.0
ALA F:116 F:114 66.0 0.574 H -61.8 -36.6 65.0 0.565 0.009 B:P68135:0.009
ALA G:116 NA:NA DO NA DO DO DO NA NA NA
ALA H:116 H:114 65.0 0.565 H -61.8 -36.6 65.0 0.565 0.0
6uc0 1 P68135 100.0 0.0 EM
 2020-01-01 ALA A:116 A:114 65.0 0.565 H -61.8 -36.6 65.0 0.565 0.0
ALA B:116 B:114 66.0 0.574 H -61.8 -36.6 61.0 0.53 0.044 F:P68135:0.043
ALA C:116 C:114 65.0 0.565 H -61.8 -36.6 63.0 0.548 0.017 E:P68135:0.017
ALA D:116 D:114 65.0 0.565 H -61.8 -36.6 63.0 0.548 0.017 G:P68135:0.017
ALA E:116 E:114 64.0 0.557 H -61.8 -36.6 60.0 0.522 0.035 B:P68135:0.035
ALA F:116 F:114 66.0 0.574 H -61.8 -36.6 61.0 0.53 0.044 A:P68135:0.043
ALA G:116 G:114 65.0 0.565 H -61.8 -36.6 63.0 0.548 0.017 C:P68135:0.017
6uc4 1 P68135 100.0 0.0 EM
 2020-01-01 ALA A:116 A:114 65.0 0.565 H -61.8 -36.5 64.0 0.557 0.008 C:P68135:0.009
ALA B:116 B:114 64.0 0.557 H -61.8 -36.6 64.0 0.557 0.0
ALA C:116 C:114 66.0 0.574 H -61.8 -36.6 65.0 0.565 0.009 B:P68135:0.009
ALA D:116 D:114 73.0 0.635 H -62.9 -42.0 73.0 0.635 0.0
ALA E:116 NA:NA DO NA DO DO DO NA NA NA
ALA F:116 NA:NA DO NA DO DO DO NA NA NA
ALA G:116 G:114 65.0 0.565 H -61.8 -36.6 65.0 0.565 0.0
ALA H:116 H:114 64.0 0.557 H -61.8 -36.6 64.0 0.557 0.0
ALA I:116 J:114 71.0 0.617 H -63.0 -41.9 71.0 0.617 0.0
ALA K:116 K:114 73.0 0.635 H -62.9 -42.0 73.0 0.635 0.0
ALA L:116 L:114 72.0 0.626 H -63.0 -42.0 72.0 0.626 0.0
6vao 1 P68135 100.0 0.0 EM
 2020-01-08 ALA A:116 D:114 73.0 0.635 H -62.9 -41.9 73.0 0.635 0.0
ALA C:116 A:114 71.0 0.617 H -63.0 -41.9 71.0 0.617 0.0
ALA E:116 B:114 73.0 0.635 H -62.9 -42.0 73.0 0.635 0.0
ALA G:116 C:114 74.0 0.643 H -62.9 -42.0 74.0 0.643 0.0
ALA I:116 E:114 71.0 0.617 H -62.9 -41.9 71.0 0.617 0.0
6vau 1 P68135 100.0 0.0 EM
 2020-01-01 ALA A:116 B:114 64.0 0.557 H -61.8 -36.6 62.0 0.539 0.018 C:P68135:0.017
ALA B:116 A:114 65.0 0.565 H -61.8 -36.6 63.0 0.548 0.017 A:P68135:0.017
ALA C:116 C:114 65.0 0.565 H -61.8 -36.6 63.0 0.548 0.017 D:P68135:0.017
ALA D:116 D:114 66.0 0.574 H -61.9 -36.6 66.0 0.574 0.0
ALA E:116 E:114 65.0 0.565 H -61.8 -36.6 63.0 0.548 0.017 B:P68135:0.017
6vec 1 P68135 100.0 0.0 EM
 2020-12-09 ALA A:116 A:116 48.0 0.417 H -61.4 -34.1 47.0 0.409 0.008 C:P68135:0.009
ALA B:116 B:116 47.0 0.409 H -61.3 -34.1 47.0 0.409 0.0
ALA C:116 C:116 49.0 0.426 H -61.3 -34.2 48.0 0.417 0.009 E:P68135:0.009
ALA D:116 D:116 49.0 0.426 H -61.2 -34.2 49.0 0.426 0.0
ALA E:116 E:116 49.0 0.426 H -61.3 -34.2 49.0 0.426 0.0
ALA F:116 F:116 48.0 0.417 H -61.2 -34.2 47.0 0.409 0.008 D:P68135:0.009
ALA G:116 G:116 48.0 0.417 H -61.2 -34.2 47.0 0.409 0.008 I:P68135:0.009
ALA H:116 H:116 48.0 0.417 H -61.3 -34.1 47.0 0.409 0.008 F:P68135:0.009
ALA I:116 I:116 49.0 0.426 H -61.2 -34.2 48.0 0.417 0.009 K:P68135:0.009
ALA J:116 J:116 49.0 0.426 H -61.3 -34.2 48.0 0.417 0.009 H:P68135:0.009
ALA K:116 K:116 49.0 0.426 H -61.2 -34.2 49.0 0.426 0.0
6w17 9 P68135 100.0 0.0 EM
 2020-08-12 ALA I:116 I:114 62.0 0.539 H -60.4 -44.9 57.0 0.496 0.043 J:P68135:0.043
ALA J:116 J:114 68.0 0.591 H -63.6 -38.9 64.0 0.557 0.034 K:P68135:0.035
ALA K:116 K:114 60.0 0.522 H -63.4 -41.1 55.0 0.478 0.044 L:P68135:0.043
ALA L:116 L:114 66.0 0.574 H -64.4 -40.7 66.0 0.574 0.0
6w7v 1 P68135 100.0 0.0 X-RAY
 2020-10-21 ALA A:116 A:114 65.0 0.565 H -67.2 -36.5 65.0 0.565 0.0 HOH
 3.012
 O
 O
6wvt 1 P68135 100.0 0.0 EM
 2020-10-07 ALA A:116 B:114 51.0 0.443 H -67.2 -28.3 51.0 0.443 0.0
ALA B:116 D:114 49.0 0.426 H -67.2 -28.3 46.0 0.4 0.026 A:P68135:0.026
ALA C:116 E:114 49.0 0.426 H -67.2 -28.3 47.0 0.409 0.017 F:P68135:0.017
ALA D:116 F:114 49.0 0.426 H -67.3 -28.3 47.0 0.409 0.017 E:P68135:0.017
ALA E:116 H:114 51.0 0.443 H -67.3 -28.2 48.0 0.417 0.026 C:P68135:0.026
ALA F:116 I:114 50.0 0.435 H -67.2 -28.3 48.0 0.417 0.018 B:P68135:0.017
6x5z 1 P68139 100.0 0.0 EM
 2020-07-22 ALA A:116 B:114 67.0 0.583 H -74.0 -20.7 67.0 0.583 0.0
ALA E:116 A:114 66.0 0.574 H -74.0 -20.6 66.0 0.574 0.0
ALA G:116 C:114 64.0 0.557 H -74.0 -20.6 64.0 0.557 0.0
7ad9 2 P68135 100.0 0.0 EM
 2020-10-28 ALA B:116 B:114 60.0 0.522 H -57.2 -27.5 60.0 0.522 0.0
ALA D:116 D:114 61.0 0.53 H -57.3 -27.5 60.0 0.522 0.008 B:P68135:0.009
ALA F:116 H:114 62.0 0.539 H -57.2 -27.4 61.0 0.53 0.009 D:P68135:0.009
ALA H:116 F:114 63.0 0.548 H -57.3 -27.4 62.0 0.539 0.009 F:P68135:0.009
ALA J:116 I:114 62.0 0.539 H -57.2 -27.4 61.0 0.53 0.009 H:P68135:0.009
7ahn 1 P68135 100.0 0.0 EM
 2021-01-27 ALA A:116 C:114 64.0 0.557 H -60.0 -24.6 63.0 0.548 0.009 E:P68135:0.009
 RLZ
 3.949
 CB
 O7
ALA B:116 A:114 64.0 0.557 H -59.9 -24.6 64.0 0.557 0.0 RLZ
 3.934
 CB
 O7
ALA C:116 E:114 63.0 0.548 H -59.9 -24.6 63.0 0.548 0.0 RLZ
 3.952
 CB
 O7
ALA D:116 D:114 64.0 0.557 H -59.9 -24.6 63.0 0.548 0.009 A:P68135:0.009
 RLZ
 3.941
 CB
 O7
ALA E:116 B:114 65.0 0.565 H -59.9 -24.6 64.0 0.557 0.008 B:P68135:0.009
 RLZ
 3.945
 CB
 O7
7ahq 1 P68135 100.0 0.0 EM
 2021-01-27 ALA A:116 A:114 64.0 0.557 H -57.4 -30.0 64.0 0.557 0.0 RLZ
 3.291
 CB
 O7
ALA B:116 B:114 64.0 0.557 H -57.4 -30.0 62.0 0.539 0.018 A:P68135:0.017
 RLZ
 3.292
 CB
 O7
ALA C:116 C:114 64.0 0.557 H -57.5 -29.9 62.0 0.539 0.018 B:P68135:0.017
 RLZ
 3.291
 CB
 O7
ALA D:116 D:114 64.0 0.557 H -57.4 -29.9 61.0 0.53 0.027 C:P68135:0.026
 RLZ
 3.292
 CB
 O7
ALA E:116 E:114 64.0 0.557 H -57.4 -30.0 63.0 0.548 0.009 D:P68135:0.009
 RLZ
 3.291
 CB
 O7
7aqk 8 ? 100.0 0.0 EM
 2020-12-02 ALA H:116 h:114 60.0 NA H -59.1 -18.2 60.0 NA NA
ALA I:116 i:114 71.0 NA T -57.3 -12.3 71.0 NA NA
ALA J:116 j:114 66.0 NA H -60.6 -20.6 66.0 NA NA
ALA K:116 k:114 64.0 NA H -56.8 -34.7 63.0 NA NA L:None:NA
ALA L:116 l:114 62.0 NA S -93.2 -34.1 61.0 NA NA M:None:NA
ALA M:116 m:114 73.0 NA T -48.8 -32.4 73.0 NA NA
ALA N:116 n:114 67.0 NA T -56.4 -21.3 67.0 NA NA
ALA O:116 o:114 63.0 NA H -61.7 -13.0 63.0 NA NA
ALA P:116 p:114 67.0 NA T -63.0 -19.4 67.0 NA NA
ALA Q:116 q:114 64.0 NA H -48.7 -26.4 64.0 NA NA
ALA R:116 r:114 67.0 NA H -57.8 -21.9 67.0 NA NA
7bt7 1 P68139 100.0 0.0 EM
 2020-05-20 ALA A:116 A:114 57.0 0.496 H -60.1 -33.8 57.0 0.496 0.0
ALA B:116 B:114 43.0 0.374 H -57.8 -41.0 43.0 0.374 0.0
ALA C:116 C:114 38.0 0.33 H -59.3 -35.7 36.0 0.313 0.017 B:P68139:0.017
ALA D:116 D:114 43.0 0.374 H -58.6 -35.3 38.0 0.33 0.044 C:P68139:0.043
ALA E:116 E:114 32.0 0.278 H -57.5 -41.6 31.0 0.27 0.008 D:P68139:0.009
7bte 1 P68139 100.0 0.0 EM
 2020-05-20 ALA A:116 A:110 67.0 0.583 H -54.2 -34.1 67.0 0.583 0.0
ALA B:116 C:482 68.0 0.591 H -55.2 -22.7 59.0 0.513 0.078 A:P68139:0.078
ALA C:116 E:854 55.0 0.478 H -54.7 -28.3 49.0 0.426 0.052 B:P68139:0.052
ALA D:116 G:1226 58.0 0.504 H -57.8 -28.9 51.0 0.443 0.061 C:P68139:0.061
ALA E:116 I:1598 62.0 0.539 H -62.6 -31.8 52.0 0.452 0.087 D:P68139:0.087
7bti 1 P68139 100.0 0.0 EM
 2020-05-20 ALA A:116 A:114 26.0 0.226 H -64.9 -27.7 26.0 0.226 0.0
ALA B:116 B:114 32.0 0.278 H -66.5 -28.7 32.0 0.278 0.0
ALA C:116 C:114 34.0 0.296 H -72.9 -25.3 32.0 0.278 0.018 H:None:0.017
ALA D:116 D:114 48.0 0.417 H -66.2 -27.2 46.0 0.4 0.017 F:None:0.017
ALA E:116 E:114 48.0 0.417 H -75.2 -24.3 48.0 0.417 0.0
7c2g 1 P68135 100.0 0.0 X-RAY
 2020-08-05 ALA A:116 A:114 75.0 0.652 H -67.3 -28.2 75.0 0.652 0.0 HOH
 2.684
 O
 O
7c2h 1 P68135 100.0 0.0 X-RAY
 2020-08-05 ALA A:116 A:114 71.0 0.617 H -66.1 -47.7 71.0 0.617 0.0 HOH
 4.399
 N
 O
7ccc 1 P68135 100.0 0.0 X-RAY
 2021-02-03 ALA A:116 A:114 69.0 0.6 H -58.1 -37.1 69.0 0.6 0.0
ALA E:116 E:114 65.0 0.565 H -61.1 -42.4 65.0 0.565 0.0 HOH
 9.498
 CB
 O
7kch 1 P68139 100.0 0.0 EM
 2021-01-13 ALA A:116 G:114 65.0 0.565 H -65.5 -28.9 65.0 0.565 0.0
ALA C:116 B:114 63.0 0.548 H -65.5 -28.9 58.0 0.504 0.044 A:P68139:0.043
ALA D:116 C:114 63.0 0.548 H -65.6 -28.9 57.0 0.496 0.052 C:P68139:0.052
7p1g 2 P68135 100.0 0.0 EM
 2021-11-17 ALA B:116 C:114 52.0 0.452 H -58.7 -24.3 51.0 0.443 0.009 H:P68135:0.009
ALA E:116 A:114 52.0 0.452 H -58.7 -24.2 52.0 0.452 0.0
ALA H:116 B:114 52.0 0.452 H -58.7 -24.3 51.0 0.443 0.009 E:P68135:0.009
ALA K:116 D:114 52.0 0.452 H -58.7 -24.2 51.0 0.443 0.009 B:P68135:0.009
ALA N:116 E:114 52.0 0.452 H -58.6 -24.3 51.0 0.443 0.009 K:P68135:0.009
7plt 2 P68135 100.0 0.0 EM
 2021-12-22 ALA B:116 C:114 52.0 0.452 H -70.1 -21.1 52.0 0.452 0.0
7plu 2 P68135 100.0 0.0 EM
 2021-12-22 ALA B:116 C:114 50.0 0.435 H -70.6 -20.9 49.0 0.426 0.009 I:P68135:0.009
ALA F:116 F:114 49.0 0.426 H -70.6 -20.9 47.0 0.409 0.017 B:P68135:0.017
ALA I:116 G:114 50.0 0.435 H -70.2 -20.8 50.0 0.435 0.0
7plv 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 67.0 0.583 H -65.5 -25.8 67.0 0.583 0.0
7plw 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 57.0 0.496 H -58.2 -32.6 57.0 0.496 0.0
7plx 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 70.0 0.609 H -65.3 -26.9 70.0 0.609 0.0
7ply 2 P68135 100.0 0.0 EM
 2021-12-22 ALA B:116 C:114 56.0 0.487 H -56.4 -32.6 56.0 0.487 0.0 9UE
 3.618
 CB
 O5
7plz 2 P68135 100.0 0.0 EM
 2021-12-22 ALA B:116 C:114 56.0 0.487 H -58.9 -32.0 56.0 0.487 0.0 9UE
 3.570
 CB
 O5
ALA E:116 F:114 55.0 0.478 H -59.0 -32.1 55.0 0.478 0.0 9UE
 3.491
 CB
 O5
ALA G:116 G:114 53.0 0.461 H -58.5 -31.9 53.0 0.461 0.0 9UE
 3.475
 CB
 O5
7pm0 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 63.0 0.548 H -54.9 -34.9 63.0 0.548 0.0 9UE
 3.672
 CB
 O5
7pm1 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 54.0 0.47 H -56.2 -30.9 54.0 0.47 0.0 9UE
 3.959
 CB
 O5
7pm2 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 52.0 0.452 H -56.5 -40.0 52.0 0.452 0.0 9UE
 3.283
 CB
 O5
7pm3 1 P68135 100.0 0.0 EM
 2021-12-22 ALA A:116 B:114 43.0 0.374 H -64.6 -25.1 43.0 0.374 0.0 9UE
 4.136
 CB
 O5
ALA B:116 C:114 42.0 0.365 H -64.3 -25.3 42.0 0.365 0.0 9UE
 3.851
 CB
 O5
ALA C:116 D:114 43.0 0.374 H -64.3 -25.2 43.0 0.374 0.0 9UE
 3.981
 CB
 O5
7pm5 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 61.0 0.53 H -58.0 -29.9 61.0 0.53 0.0
7pm6 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 66.0 0.574 H -79.4 -12.5 65.0 0.565 0.009 I:P68135:0.009
ALA G:116 F:114 63.0 0.548 H -67.0 -34.1 59.0 0.513 0.035 H:None:0.026
C:P68135:0.017
ALA I:116 G:114 63.0 0.548 H -64.8 -35.5 63.0 0.548 0.0
7pm7 4 P68135 100.0 0.0 EM
 2021-12-22 ALA D:116 C:114 62.0 0.539 H -58.7 -29.4 62.0 0.539 0.0
7pm8 4 P68135 100.0 0.0 EM
 2021-12-22 ALA D:116 C:114 62.0 0.539 H -55.9 -32.5 62.0 0.539 0.0
7pm9 4 P68135 100.0 0.0 EM
 2021-12-22 ALA D:116 C:114 65.0 0.565 H -53.7 -30.5 65.0 0.565 0.0
7pma 4 P68135 100.0 0.0 EM
 2021-12-22 ALA D:116 C:114 57.0 0.496 H -60.6 -31.2 57.0 0.496 0.0
7pmb 4 P68135 100.0 0.0 EM
 2021-12-22 ALA D:116 C:114 60.0 0.522 H -55.2 -29.8 60.0 0.522 0.0
7pmc 4 P68135 100.0 0.0 EM
 2021-12-22 ALA D:116 C:114 61.0 0.53 H -59.5 -29.9 61.0 0.53 0.0
7pmd 2 P68135 100.0 0.0 EM
 2021-12-22 ALA B:116 C:114 59.0 0.513 H -54.0 -28.7 59.0 0.513 0.0
7pme 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 59.0 0.513 H -54.3 -29.1 59.0 0.513 0.0
ALA G:116 F:114 60.0 0.522 H -54.3 -29.2 60.0 0.522 0.0
ALA I:116 G:114 56.0 0.487 H -53.4 -28.7 56.0 0.487 0.0
7pmf 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 67.0 0.583 H -54.0 -30.1 67.0 0.583 0.0
7pmg 2 P68135 100.0 0.0 EM
 2021-12-22 ALA B:116 C:114 58.0 0.504 H -57.8 -28.1 58.0 0.504 0.0
7pmh 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 60.0 0.522 H -58.1 -25.6 60.0 0.522 0.0
7pmi 2 P68135 100.0 0.0 EM
 2021-12-22 ALA B:116 C:114 71.0 0.617 H -57.1 -28.2 71.0 0.617 0.0
7pmj 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 57.0 0.496 H -53.5 -30.3 57.0 0.496 0.0
7pml 3 P68135 100.0 0.0 EM
 2021-12-22 ALA C:116 C:114 43.0 0.374 H -62.2 -18.7 43.0 0.374 0.0
6jh8 1 P68135 99.73 0.0 X-RAY
 2020-02-19 ALA A:116 A:114 72.0 0.626 H -67.8 -33.7 72.0 0.626 0.0 HOH
 2.794
 O
 O
4b1u 1 P68134 100.0 0.0 X-RAY
 2013-07-31 ALA A:115 B:114 59.0 0.513 H -59.8 -35.9 59.0 0.513 0.0 HOH
 2.792
 N
 O
4b1v 1 P68135 100.0 0.0 X-RAY
 2012-11-07 ALA A:115 A:114 69.0 0.6 H -60.4 -33.9 NA NA NA
ALA B:115 B:114 69.0 0.6 H -59.4 -36.0 69.0 0.6 0.0 HOH
 2.546
 O
 O
4b1x 1 P68135 100.0 0.0 X-RAY
 2013-07-31 ALA A:115 B:496 68.0 0.591 H -61.3 -38.0 68.0 0.591 0.0 HOH
 3.452
 CB
 O
4b1y 1 P68135 100.0 0.0 X-RAY
 2013-07-31 ALA A:115 B:114 75.0 0.652 H -64.5 -32.7 75.0 0.652 0.0 PEG
HOH
 6.793
2.738
 N
O
 O2
O
4b1z 1 P68135 100.0 0.0 X-RAY
 2012-11-07 ALA A:115 A:114 77.0 0.67 H -61.7 -35.5 77.0 0.67 0.0
ALA B:115 B:114 70.0 0.609 H -62.1 -35.5 70.0 0.609 0.0
ALA C:115 C:114 70.0 0.609 H -62.1 -35.6 70.0 0.609 0.0
ALA D:115 D:114 69.0 0.6 H -61.5 -35.2 40.0 0.348 0.252 B:P68135:0.252
ALA E:115 E:114 71.0 0.617 H -61.8 -35.2 71.0 0.617 0.0
ALA F:115 F:114 64.0 0.557 H -61.9 -35.7 64.0 0.557 0.0 GOL
 9.135
 N
 O2
4b1w 1 P68135 99.73 0.0 X-RAY
 2013-07-31 ALA A:115 B:114 71.0 0.617 H -66.0 -33.5 71.0 0.617 0.0 HOH
 2.753
 O
 O
1h1v 1 P02568 100.0 0.0 X-RAY
 2003-01-24 ALA A:114 A:114 69.0 0.6 H -75.7 -35.4 69.0 0.6 0.0 HOH
 3.457
 CB
 O
1j6z 1 P68135 100.0 0.0 X-RAY
 2001-08-15 ALA A:114 A:114 69.0 0.6 H -65.1 -30.2 69.0 0.6 0.0 HOH
 2.980
 N
 O
1kxp 1 P68135 100.0 0.0 X-RAY
 2002-06-19 ALA A:114 A:114 77.0 0.67 H -61.8 -28.0 77.0 0.67 0.0 HOH
 2.862
 N
 O
1lot 2 P68135 100.0 0.0 X-RAY
 2002-07-31 ALA B:114 B:114 70.0 0.609 H -57.5 -38.3 70.0 0.609 0.0 HOH
 5.935
 O
 O
1m8q 4 P68135 100.0 0.0 EM
 2002-09-10 ALA M:114 7:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA N:114 8:114 64.0 0.557 H -67.2 -30.5 64.0 0.557 0.0
ALA O:114 9:114 62.0 0.539 H -67.2 -30.6 62.0 0.539 0.0
ALA P:114 V:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA Q:114 W:114 64.0 0.557 H -67.2 -30.6 64.0 0.557 0.0
ALA R:114 X:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA S:114 Y:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA T:114 Z:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA U:114 0:114 64.0 0.557 H -67.1 -30.7 22.0 0.191 0.366 V:P68135:0.365
ALA V:114 1:114 65.0 0.565 H -67.0 -30.7 65.0 0.565 0.0
ALA W:114 2:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA X:114 3:114 65.0 0.565 H -67.1 -30.6 65.0 0.565 0.0
ALA Y:114 4:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA Z:114 5:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
1ma9 2 P68135 100.0 0.0 X-RAY
 2003-02-04 ALA B:114 B:114 72.0 0.626 H -58.8 -34.9 72.0 0.626 0.0 HOH
 2.832
 N
 O
1mvw 4 P68135 100.0 0.0 EM
 2002-11-20 ALA S:114 1:114 64.0 0.557 H -67.0 -30.7 42.0 0.365 0.192 T:P68135:0.191
ALA T:114 2:114 63.0 0.548 H -67.0 -30.7 63.0 0.548 0.0
ALA U:114 3:114 63.0 0.548 H -67.2 -30.7 63.0 0.548 0.0
ALA V:114 4:114 63.0 0.548 H -67.2 -30.7 63.0 0.548 0.0
ALA W:114 5:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA X:114 6:114 61.0 0.53 H -67.1 -30.6 61.0 0.53 0.0
ALA Y:114 7:114 66.0 0.574 H -67.1 -30.7 66.0 0.574 0.0
ALA Z:114 8:114 63.0 0.548 H -67.1 -30.5 63.0 0.548 0.0
ALA AA:114 9:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA BA:114 V:114 64.0 0.557 H -67.2 -30.5 64.0 0.557 0.0
ALA CA:114 W:114 65.0 0.565 H -67.2 -30.6 65.0 0.565 0.0
ALA DA:114 X:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA EA:114 Y:114 64.0 0.557 H -67.0 -30.7 64.0 0.557 0.0
ALA FA:114 Z:114 64.0 0.557 H -67.2 -30.6 64.0 0.557 0.0
1nwk 1 P68135 100.0 0.0 X-RAY
 2003-10-14 ALA A:114 A:114 67.0 0.583 H -59.8 -35.2 67.0 0.583 0.0 HOH
 3.121
 N
 O
1o18 4 P68135 100.0 0.0 EM
 2002-11-27 ALA Q:114 1:114 62.0 0.539 H -67.2 -30.7 62.0 0.539 0.0
ALA R:114 2:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA S:114 3:114 63.0 0.548 H -67.1 -30.5 63.0 0.548 0.0
ALA T:114 4:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA U:114 5:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA V:114 6:114 61.0 0.53 H -67.2 -30.5 61.0 0.53 0.0
ALA W:114 7:114 65.0 0.565 H -67.1 -30.6 65.0 0.565 0.0
ALA X:114 8:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA Y:114 9:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA Z:114 V:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA AA:114 W:114 65.0 0.565 H -67.1 -30.6 65.0 0.565 0.0
ALA BA:114 X:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA CA:114 Y:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA DA:114 Z:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
1o19 4 P68135 100.0 0.0 EM
 2002-11-27 ALA S:114 1:114 62.0 0.539 H -67.0 -30.7 62.0 0.539 0.0
ALA T:114 2:114 64.0 0.557 H -67.1 -30.7 38.0 0.33 0.227 U:P68135:0.226
ALA U:114 3:114 62.0 0.539 H -67.1 -30.8 62.0 0.539 0.0
ALA V:114 4:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA W:114 5:114 63.0 0.548 H -67.0 -30.7 63.0 0.548 0.0
ALA X:114 6:114 62.0 0.539 H -67.0 -30.7 62.0 0.539 0.0
ALA Y:114 7:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA Z:114 8:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA AA:114 9:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA BA:114 V:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA CA:114 W:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA DA:114 X:114 66.0 0.574 H -67.1 -30.8 66.0 0.574 0.0
ALA EA:114 Y:114 63.0 0.548 H -67.0 -30.7 63.0 0.548 0.0
ALA FA:114 Z:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
1o1a 4 P68135 100.0 0.0 EM
 2002-12-04 ALA S:114 1:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA T:114 2:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA U:114 3:114 63.0 0.548 H -67.0 -30.8 63.0 0.548 0.0
ALA V:114 4:114 63.0 0.548 H -67.0 -30.7 63.0 0.548 0.0
ALA W:114 5:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA X:114 6:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA Y:114 7:114 64.0 0.557 H -67.0 -30.7 64.0 0.557 0.0
ALA Z:114 8:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA AA:114 9:114 62.0 0.539 H -67.1 -30.7 62.0 0.539 0.0
ALA BA:114 V:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA CA:114 W:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA DA:114 X:114 66.0 0.574 H -67.0 -30.7 66.0 0.574 0.0
ALA EA:114 Y:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA FA:114 Z:114 64.0 0.557 H -67.2 -30.6 64.0 0.557 0.0
1o1b 4 P68135 100.0 0.0 EM
 2002-12-04 ALA M:114 0:114 63.0 0.548 H -67.2 -30.7 63.0 0.548 0.0
ALA N:114 1:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA O:114 2:114 63.0 0.548 H -67.3 -30.5 63.0 0.548 0.0
ALA P:114 3:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA Q:114 4:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA R:114 5:114 63.0 0.548 H -67.2 -30.7 63.0 0.548 0.0
ALA S:114 7:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA T:114 8:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA U:114 9:114 62.0 0.539 H -67.0 -30.7 62.0 0.539 0.0
ALA V:114 V:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA W:114 W:114 62.0 0.539 H -67.1 -30.7 62.0 0.539 0.0
ALA X:114 X:114 64.0 0.557 H -67.2 -30.7 64.0 0.557 0.0
ALA Y:114 Y:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA Z:114 Z:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
1o1c 4 P68135 100.0 0.0 EM
 2002-12-04 ALA P:114 0:114 64.0 0.557 H -67.1 -30.7 36.0 0.313 0.244 Q:P68135:0.243
ALA Q:114 1:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA R:114 2:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA S:114 3:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA T:114 4:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA U:114 5:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA V:114 7:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA W:114 8:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA X:114 9:114 61.0 0.53 H -67.2 -30.6 61.0 0.53 0.0
ALA Y:114 V:114 62.0 0.539 H -67.1 -30.5 62.0 0.539 0.0
ALA Z:114 W:114 62.0 0.539 H -67.1 -30.7 62.0 0.539 0.0
ALA AA:114 X:114 64.0 0.557 H -67.0 -30.6 64.0 0.557 0.0
ALA BA:114 Y:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA CA:114 Z:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
1o1d 4 P68135 100.0 0.0 EM
 2002-12-04 ALA S:114 0:114 63.0 0.548 H -67.2 -30.6 36.0 0.313 0.235 T:P68135:0.235
ALA T:114 1:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA U:114 2:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA V:114 3:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA W:114 4:114 65.0 0.565 H -67.1 -30.6 65.0 0.565 0.0
ALA X:114 5:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA Y:114 7:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA Z:114 8:114 64.0 0.557 H -67.2 -30.6 64.0 0.557 0.0
ALA AA:114 9:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA BA:114 V:114 62.0 0.539 H -67.0 -30.7 62.0 0.539 0.0
ALA CA:114 W:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA DA:114 X:114 65.0 0.565 H -67.1 -30.7 65.0 0.565 0.0
ALA EA:114 Y:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA FA:114 Z:114 63.0 0.548 H -67.1 -30.8 63.0 0.548 0.0
1o1e 4 P68135 100.0 0.0 EM
 2002-12-04 ALA S:114 1:114 63.0 0.548 H -67.2 -30.6 31.0 0.27 0.278 T:P68135:0.278
ALA T:114 2:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA U:114 3:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA V:114 4:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA W:114 5:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA X:114 6:114 64.0 0.557 H -67.2 -30.6 64.0 0.557 0.0
ALA Y:114 7:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA Z:114 8:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA AA:114 9:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA BA:114 V:114 64.0 0.557 H -67.0 -30.7 64.0 0.557 0.0
ALA CA:114 W:114 64.0 0.557 H -67.1 -30.8 64.0 0.557 0.0
ALA DA:114 X:114 64.0 0.557 H -67.2 -30.6 64.0 0.557 0.0
ALA EA:114 Y:114 62.0 0.539 H -67.2 -30.6 62.0 0.539 0.0
ALA FA:114 Z:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
1o1f 4 P68135 100.0 0.0 EM
 2002-12-04 ALA M:114 0:114 64.0 0.557 H -67.0 -30.7 64.0 0.557 0.0
ALA N:114 1:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA O:114 2:114 62.0 0.539 H -67.1 -30.8 62.0 0.539 0.0
ALA P:114 3:114 63.0 0.548 H -67.0 -30.7 63.0 0.548 0.0
ALA Q:114 4:114 64.0 0.557 H -67.2 -30.5 64.0 0.557 0.0
ALA R:114 5:114 62.0 0.539 H -67.1 -30.7 62.0 0.539 0.0
ALA S:114 6:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA T:114 7:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA U:114 8:114 63.0 0.548 H -67.0 -30.7 63.0 0.548 0.0
ALA V:114 V:114 62.0 0.539 H -67.2 -30.6 62.0 0.539 0.0
ALA W:114 W:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA X:114 X:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA Y:114 Y:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA Z:114 Z:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
1o1g 4 P68135 100.0 0.0 EM
 2002-12-11 ALA S:114 1:114 63.0 0.548 H -67.2 -30.6 30.0 0.261 0.287 T:P68135:0.287
ALA T:114 2:114 65.0 0.565 H -67.1 -30.7 65.0 0.565 0.0
ALA U:114 3:114 63.0 0.548 H -67.2 -30.5 63.0 0.548 0.0
ALA V:114 4:114 64.0 0.557 H -67.1 -30.8 64.0 0.557 0.0
ALA W:114 5:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA X:114 6:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA Y:114 7:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA Z:114 8:114 65.0 0.565 H -67.1 -30.5 65.0 0.565 0.0
ALA AA:114 9:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA BA:114 V:114 63.0 0.548 H -67.2 -30.5 63.0 0.548 0.0
ALA CA:114 W:114 65.0 0.565 H -67.1 -30.6 65.0 0.565 0.0
ALA DA:114 X:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA EA:114 Y:114 62.0 0.539 H -67.1 -30.7 62.0 0.539 0.0
ALA FA:114 Z:114 65.0 0.565 H -67.1 -30.7 65.0 0.565 0.0
1qz5 1 P68135 100.0 0.0 X-RAY
 2003-11-11 ALA A:114 A:114 67.0 0.583 H -65.3 -28.7 67.0 0.583 0.0 HOH
 2.847
 O
 O
1qz6 1 P68135 100.0 0.0 X-RAY
 2003-11-11 ALA A:114 A:114 67.0 0.583 H -61.4 -34.8 67.0 0.583 0.0 HOH
 2.930
 O
 O
1rdw 1 P68135 100.0 0.0 X-RAY
 2003-12-16 ALA A:114 X:114 62.0 0.539 H -60.7 -37.5 62.0 0.539 0.0 HOH
 3.238
 N
 O
1rfq 1 P68135 100.0 0.0 X-RAY
 2003-12-16 ALA A:114 A:114 64.0 0.557 H -47.0 -30.7 62.0 0.539 0.018 B:P68135:0.017
ALA B:114 B:114 65.0 0.565 H -56.0 -60.5 41.0 0.357 0.208 A:P68135:0.209
 HOH
 4.886
 O
 O
1s22 1 P68135 100.0 0.0 X-RAY
 2004-02-17 ALA A:114 A:114 68.0 0.591 H -65.3 -29.1 68.0 0.591 0.0 HOH
 2.839
 O
 O
1wua 1 P68135 100.0 0.0 X-RAY
 2006-02-14 ALA A:114 A:114 71.0 0.617 H -65.0 -29.8 71.0 0.617 0.0 HOH
 2.760
 O
 O
1y64 1 P68135 100.0 0.0 X-RAY
 2005-01-18 ALA A:114 A:114 51.0 0.443 H -37.9 -57.7 51.0 0.443 0.0
1yxq 1 P68135 100.0 0.0 X-RAY
 2005-05-17 ALA A:114 A:114 70.0 0.609 H -64.9 -30.7 70.0 0.609 0.0 HOH
 2.616
 O
 O
ALA B:114 B:114 69.0 0.6 H -62.5 -34.1 69.0 0.6 0.0 HOH
 9.439
 C
 O
2a3z 1 P68135 100.0 0.0 X-RAY
 2005-11-01 ALA A:114 A:114 71.0 0.617 H -63.8 -29.8 71.0 0.617 0.0 HOH
 2.745
 O
 O
2a40 1 P68135 100.0 0.0 X-RAY
 2005-11-01 ALA A:114 A:114 65.0 0.565 H -63.2 -33.0 65.0 0.565 0.0 HOH
 2.763
 O
 O
ALA D:114 D:114 70.0 0.609 H -67.7 -28.9 NA NA NA
2a41 1 P68135 100.0 0.0 X-RAY
 2005-11-01 ALA A:114 A:114 74.0 0.643 H -52.8 -31.1 74.0 0.643 0.0 HOH
 4.233
 N
 O
2a42 1 P68135 100.0 0.0 X-RAY
 2005-11-01 ALA A:114 A:114 67.0 0.583 H -63.5 -32.2 67.0 0.583 0.0 HOH
 2.626
 N
 O
2a5x 1 P68135 100.0 0.0 X-RAY
 2005-08-23 ALA A:114 A:114 71.0 0.617 H -58.7 -39.1 71.0 0.617 0.0 HOH
 9.750
 C
 O
2asm 1 P68135 100.0 0.0 X-RAY
 2005-10-11 ALA A:114 A:114 66.0 0.574 H -66.4 -32.0 66.0 0.574 0.0 HOH
 2.848
 O
 O
2aso 1 P68135 100.0 0.0 X-RAY
 2005-10-11 ALA A:114 A:114 58.0 0.504 H -62.9 -35.7 58.0 0.504 0.0 HOH
 2.906
 N
 O
2asp 1 P68135 100.0 0.0 X-RAY
 2005-10-11 ALA A:114 A:114 68.0 0.591 H -62.7 -34.9 68.0 0.591 0.0 HOH
 2.749
 N
 O
2d1k 1 P68135 100.0 0.0 X-RAY
 2006-09-12 ALA A:114 A:114 60.0 0.522 H -53.5 -42.0 60.0 0.522 0.0
2ff3 3 P68135 100.0 0.0 X-RAY
 2006-03-21 ALA C:114 B:114 67.0 0.583 H -62.4 -38.1 67.0 0.583 0.0 HOH
 3.019
 N
 O
2ff6 3 P68135 100.0 0.0 X-RAY
 2006-03-21 ALA C:114 A:114 65.0 0.565 H -66.9 -27.8 65.0 0.565 0.0 HOH
 2.785
 O
 O
2fxu 1 P68135 100.0 0.0 X-RAY
 2006-03-07 ALA A:114 A:114 74.0 0.643 H -60.5 -29.9 74.0 0.643 0.0 HOH
 2.761
 O
 O
2hmp 1 P68135 100.0 0.0 X-RAY
 2006-09-19 ALA A:114 A:114 68.0 0.591 H -58.8 -38.0 68.0 0.591 0.0 HOH
 2.747
 O
 O
ALA B:114 B:114 48.0 0.417 H -64.6 -33.7 48.0 0.417 0.0 HOH
 2.934
 N
 O
2pav 1 P68135 100.0 0.0 X-RAY
 2007-10-23 ALA A:114 A:114 70.0 0.609 H -63.0 -32.3 70.0 0.609 0.0 HOH
 2.804
 O
 O
2q0r 1 P68135 100.0 0.0 X-RAY
 2007-07-17 ALA A:114 A:114 68.0 0.591 H -58.5 -33.0 68.0 0.591 0.0 PXT
HOH
 7.166
2.810
 N
O
 O12
O
2q0u 1 P68135 100.0 0.0 X-RAY
 2007-07-17 ALA A:114 A:114 66.0 0.574 H -56.8 -36.0 66.0 0.574 0.0 PXT
HOH
 7.271
2.862
 N
O
 O12
O
2q1n 1 P68135 100.0 0.0 X-RAY
 2007-06-05 ALA A:114 A:114 68.0 0.591 H -53.5 -33.0 68.0 0.591 0.0
ALA B:114 B:114 70.0 0.609 H -53.1 -33.6 NA NA NA
2q31 1 P68135 100.0 0.0 X-RAY
 2007-06-05 ALA A:114 A:114 76.0 0.661 H -63.7 -26.0 76.0 0.661 0.0
ALA B:114 B:114 77.0 0.67 H -64.2 -25.5 NA NA NA
2q36 1 P68135 100.0 0.0 X-RAY
 2007-06-05 ALA A:114 A:114 70.0 0.609 H -56.4 -35.8 68.0 0.591 0.018 A:P68135:0.017
 HOH
 2.739
 N
 O
2q97 1 P68135 100.0 0.0 X-RAY
 2007-10-16 ALA A:114 A:114 74.0 0.643 H -49.8 -33.9 74.0 0.643 0.0 HOH
 5.668
 C
 O
2vcp 1 P68135 100.0 0.0 X-RAY
 2008-11-04 ALA A:114 A:114 53.0 0.461 H -65.9 -42.0 53.0 0.461 0.0
ALA B:114 B:114 55.0 0.478 H -60.1 -38.5 NA NA NA
2y83 1 P68135 100.0 0.0 EM
 2011-03-30 ALA A:114 O:114 49.0 0.426 H -72.4 -19.0 49.0 0.426 0.0
ALA B:114 P:114 66.0 0.574 H -67.5 -20.5 66.0 0.574 0.0
ALA C:114 Q:114 56.0 0.487 H -70.7 -1.8 56.0 0.487 0.0
ALA D:114 R:114 66.0 0.574 H -55.5 -19.1 66.0 0.574 0.0
ALA E:114 S:114 65.0 0.565 H -56.9 -14.8 65.0 0.565 0.0
ALA F:114 T:114 59.0 0.513 H -53.6 -28.0 37.0 0.322 0.191 E:P68135:0.191
2zwh 1 P68135 100.0 0.0 FIBER DIFFRACTION
 2009-01-20 ALA A:114 A:114 52.0 0.452 H -73.8 -24.8 52.0 0.452 0.0
3buz 2 P68135 100.0 0.0 X-RAY
 2008-05-13 ALA B:114 B:114 49.0 0.426 H -69.2 -41.4 45.0 0.391 0.035 A:Q46220:0.035
 HOH
 6.807
 C
 O
3hbt 1 P68135 100.0 0.0 X-RAY
 2010-05-05 ALA A:114 A:114 76.0 0.661 H -53.6 -45.8 76.0 0.661 0.0 HOH
 2.716
 O
 O
3j4k 1 P68135 100.0 0.0 EM
 2013-09-25 ALA A:114 A:114 64.0 0.557 H -75.9 -30.8 57.0 0.496 0.061 C:P68135:0.061
ALA B:114 B:114 62.0 0.539 H -72.6 -31.6 59.0 0.513 0.026 D:P68135:0.026
ALA C:114 C:114 61.0 0.53 H -72.4 -31.1 61.0 0.53 0.0
ALA D:114 D:114 50.0 0.435 H -72.4 -32.2 48.0 0.417 0.018 A:P68135:0.017
ALA E:114 E:114 61.0 0.53 H -76.0 -30.8 61.0 0.53 0.0
3j8a 2 P68135 100.0 0.0 EM
 2014-12-10 ALA C:114 A:114 46.0 0.4 T -103.8 78.6 46.0 0.4 0.0
ALA D:114 B:114 50.0 0.435 T -104.4 79.4 50.0 0.435 0.0
ALA E:114 C:114 51.0 0.443 S -102.3 78.8 51.0 0.443 0.0
ALA F:114 D:114 52.0 0.452 S -103.3 78.7 52.0 0.452 0.0
ALA G:114 E:114 46.0 0.4 S -103.1 78.9 46.0 0.4 0.0
3jbi 1 P68135 100.0 0.0 EM
 2015-11-04 ALA A:114 A:114 33.0 0.287 T -119.8 28.9 33.0 0.287 0.0
ALA B:114 B:114 29.0 0.252 S -125.5 23.7 29.0 0.252 0.0
3jbj 1 P68135 100.0 0.0 EM
 2015-11-04 ALA A:114 A:114 42.0 0.365 S -109.5 109.7 42.0 0.365 0.0
ALA B:114 B:114 41.0 0.357 T -116.5 33.8 41.0 0.357 0.0
3jbk 1 P68135 100.0 0.0 EM
 2015-11-04 ALA A:114 A:114 39.0 0.339 T -108.7 36.9 39.0 0.339 0.0
ALA B:114 B:114 38.0 0.33 T -121.7 39.8 38.0 0.33 0.0
3m1f 1 P68135 100.0 0.0 X-RAY
 2010-09-15 ALA A:114 A:114 70.0 0.609 H -64.4 -30.7 70.0 0.609 0.0
3m3n 1 P68135 100.0 0.0 X-RAY
 2010-07-28 ALA A:114 A:114 69.0 0.6 H -64.4 -30.7 69.0 0.6 0.0
ALA B:114 B:114 68.0 0.591 H -64.4 -30.7 68.0 0.591 0.0
3mfp 1 P68135 100.0 0.0 EM
 2010-09-29 ALA A:114 A:114 69.0 0.6 H -62.4 -30.1 69.0 0.6 0.0
3sjh 1 P68135 100.0 0.0 X-RAY
 2012-01-25 ALA A:114 A:114 69.0 0.6 H -61.8 -35.4 69.0 0.6 0.0 HOH
 2.733
 O
 O
3tpq 1 P68135 100.0 0.0 X-RAY
 2011-10-12 ALA A:114 A:114 62.0 0.539 H -38.4 -51.3 59.0 0.513 0.026 E:P68135:0.026
ALA B:114 B:114 64.0 0.557 H -40.7 -45.2 39.0 0.339 0.218 C:P68135:0.217
ALA C:114 C:114 70.0 0.609 H -52.2 -37.3 70.0 0.609 0.0
ALA D:114 D:114 69.0 0.6 H -56.7 -37.2 69.0 0.6 0.0
ALA E:114 E:114 66.0 0.574 H -59.3 -34.1 66.0 0.574 0.0
3u8x 1 P68135 100.0 0.0 X-RAY
 2012-01-25 ALA A:114 A:114 77.0 0.67 H -61.5 -31.3 77.0 0.67 0.0
ALA C:114 C:114 69.0 0.6 H -73.7 -32.2 NA NA NA
3u9d 1 P68136 100.0 0.0 X-RAY
 2012-01-25 ALA A:114 A:114 74.0 0.643 H -55.0 -46.0 74.0 0.643 0.0
ALA C:114 C:114 78.0 0.678 H -53.4 -18.2 NA NA NA
3u9z 1 P68135 100.0 0.0 X-RAY
 2012-01-25 ALA A:114 A:114 72.0 0.626 H -58.9 -30.8 72.0 0.626 0.0 HOH
 2.770
 O
 O
3ue5 1 P68135 100.0 0.0 X-RAY
 2012-02-15 ALA A:114 A:114 77.0 0.67 H -62.1 -41.7 77.0 0.67 0.0 HOH
 2.938
 N
 O
4a7f 1 P68135 100.0 0.0 EM
 2012-08-01 ALA A:114 A:114 66.0 0.574 H -65.3 -22.6 63.0 0.548 0.026 E:P68135:0.026
ALA D:114 D:114 65.0 0.565 H -65.2 -22.5 65.0 0.565 0.0
ALA E:114 E:114 68.0 0.591 H -65.2 -22.6 65.0 0.565 0.026 D:P68135:0.026
ALA F:114 F:114 66.0 0.574 H -65.3 -22.6 63.0 0.548 0.026 A:P68135:0.026
ALA I:114 I:114 67.0 0.583 H -65.3 -22.6 63.0 0.548 0.035 F:P68135:0.035
4a7h 1 P68135 100.0 0.0 EM
 2012-08-01 ALA A:114 A:114 72.0 0.626 H -71.3 -23.1 70.0 0.609 0.017 F:P68135:0.017
ALA D:114 D:114 72.0 0.626 H -71.3 -23.0 70.0 0.609 0.017 G:P68135:0.017
ALA E:114 E:114 74.0 0.643 H -71.3 -23.0 74.0 0.643 0.0
ALA F:114 F:114 73.0 0.635 H -71.3 -23.0 72.0 0.626 0.009 E:P68135:0.009
ALA G:114 G:114 75.0 0.652 H -71.3 -23.1 73.0 0.635 0.017 A:P68135:0.017
4a7l 1 P68135 100.0 0.0 EM
 2012-08-01 ALA A:114 A:114 65.0 0.565 H -65.1 -24.6 59.0 0.513 0.052 E:P68135:0.052
ALA D:114 D:114 66.0 0.574 H -65.1 -24.6 66.0 0.574 0.0
ALA E:114 E:114 66.0 0.574 H -65.1 -24.6 62.0 0.539 0.035 D:P68135:0.035
ALA F:114 F:114 67.0 0.583 H -65.1 -24.6 61.0 0.53 0.053 A:P68135:0.052
ALA I:114 I:114 66.0 0.574 H -65.2 -24.6 60.0 0.522 0.052 F:P68135:0.052
4a7n 1 P68135 100.0 0.0 EM
 2012-08-01 ALA A:114 A:114 57.0 0.496 H -72.7 -31.7 57.0 0.496 0.0
ALA B:114 B:114 58.0 0.504 H -72.7 -31.7 58.0 0.504 0.0
ALA C:114 C:114 57.0 0.496 H -72.8 -31.7 57.0 0.496 0.0
ALA D:114 D:114 57.0 0.496 H -72.7 -31.7 57.0 0.496 0.0
ALA E:114 E:114 57.0 0.496 H -72.8 -31.7 57.0 0.496 0.0
4gy2 2 P68135 100.0 0.0 X-RAY
 2013-02-20 ALA B:114 B:114 74.0 0.643 H -38.5 -48.6 69.0 0.6 0.043 A:Q46220:0.043
 HOH
 4.412
 C
 O
4h03 2 P68135 100.0 0.0 X-RAY
 2013-02-20 ALA B:114 B:114 66.0 0.574 H -67.3 -31.1 66.0 0.574 0.0 HOH
 2.925
 N
 O
4h0t 2 P68135 100.0 0.0 X-RAY
 2013-02-20 ALA B:114 B:114 69.0 0.6 H -61.5 -28.4 63.0 0.548 0.052 A:Q46220:0.052
 HOH
 8.326
 C
 O
4h0v 2 P68135 100.0 0.0 X-RAY
 2013-02-20 ALA B:114 B:114 62.0 0.539 H -68.4 -28.3 62.0 0.539 0.0 HOH
 2.890
 N
 O
4h0x 2 P68135 100.0 0.0 X-RAY
 2013-02-20 ALA B:114 B:114 64.0 0.557 H -62.2 -31.8 47.0 0.409 0.148 A:Q46220:0.148
4h0y 2 P68135 100.0 0.0 X-RAY
 2013-02-20 ALA B:114 B:114 67.0 0.583 H -68.0 -30.3 65.0 0.565 0.018 A:Q46220:0.017
 HOH
 3.006
 N
 O
4k41 1 P68135 100.0 0.0 X-RAY
 2014-10-01 ALA A:114 A:114 56.0 0.487 H -65.5 -30.9 56.0 0.487 0.0 HOH
 2.154
 H
 O
4k42 1 P68135 100.0 0.0 X-RAY
 2014-10-01 ALA A:114 A:114 69.0 0.6 H -59.8 -24.1 69.0 0.6 0.0 HOH
 6.676
 HA
 O
ALA B:114 B:114 69.0 0.6 H -60.9 -22.6 NA NA NA
ALA C:114 C:114 69.0 0.6 H -60.9 -22.8 NA NA NA
ALA D:114 D:114 69.0 0.6 H -60.4 -23.0 NA NA NA
4k43 1 P68135 100.0 0.0 X-RAY
 2014-10-01 ALA A:114 A:114 57.0 0.496 H -66.7 -22.1 57.0 0.496 0.0 HOH
 3.432
 HB1
 O
ALA B:114 B:114 62.0 0.539 H -66.4 -21.3 NA NA NA
4pl8 1 P68135 100.0 0.0 X-RAY
 2014-10-22 ALA A:114 A:114 71.0 0.617 H -60.6 -33.3 71.0 0.617 0.0 HOH
 3.039
 N
 O
ALA C:114 B:114 68.0 0.591 H -60.5 -33.7 68.0 0.591 0.0 HOH
 2.765
 O
 O
4v0u 1 P68135 100.0 0.0 X-RAY
 2015-03-25 ALA A:114 A:114 72.0 0.626 H -62.3 -36.9 NA NA NA
ALA B:114 B:114 75.0 0.652 H -62.3 -37.0 NA NA NA
ALA C:114 C:114 74.0 0.643 H -62.3 -37.1 NA NA NA
ALA L:114 L:114 74.0 0.643 H -62.3 -37.1 NA NA NA
ALA M:114 M:114 74.0 0.643 H -62.3 -37.3 NA NA NA
5h53 4 P68135 100.0 0.0 EM
 2017-01-18 ALA D:114 D:114 66.0 0.574 H -60.8 -40.8 66.0 0.574 0.0
ALA E:114 E:114 65.0 0.565 H -60.1 -39.2 65.0 0.565 0.0
5jlf 1 P68135 100.0 0.0 EM
 2016-06-15 ALA A:114 A:114 46.0 0.4 H -52.5 -31.6 45.0 0.391 0.009 E:P68135:0.009
ALA B:114 B:114 44.0 0.383 H -52.6 -31.6 44.0 0.383 0.0
ALA C:114 C:114 45.0 0.391 H -53.2 -31.3 45.0 0.391 0.0
ALA D:114 D:114 45.0 0.391 H -49.4 -36.0 45.0 0.391 0.0
ALA E:114 E:114 45.0 0.391 H -50.6 -34.4 45.0 0.391 0.0
5mva 1 P68135 100.0 0.0 EM
 2017-11-29 ALA A:114 A:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA B:114 B:114 65.0 0.565 H -62.4 -30.1 65.0 0.565 0.0
ALA C:114 C:114 66.0 0.574 H -62.5 -30.1 66.0 0.574 0.0
ALA D:114 D:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA E:114 E:114 66.0 0.574 H -62.4 -30.2 66.0 0.574 0.0
ALA F:114 F:114 65.0 0.565 H -62.4 -30.1 65.0 0.565 0.0
ALA G:114 G:114 68.0 0.591 H -62.5 -30.1 68.0 0.591 0.0
ALA H:114 H:114 66.0 0.574 H -62.5 -30.1 66.0 0.574 0.0
ALA I:114 I:114 66.0 0.574 H -62.4 -30.1 66.0 0.574 0.0
ALA J:114 J:114 66.0 0.574 H -62.4 -30.1 66.0 0.574 0.0
ALA K:114 K:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA L:114 L:114 66.0 0.574 H -62.4 -30.1 66.0 0.574 0.0
ALA M:114 M:114 65.0 0.565 H -62.4 -30.1 65.0 0.565 0.0
ALA N:114 N:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA O:114 O:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA P:114 P:114 65.0 0.565 H -62.4 -30.2 65.0 0.565 0.0
ALA Q:114 Q:114 67.0 0.583 H -62.4 -30.1 67.0 0.583 0.0
ALA R:114 R:114 68.0 0.591 H -62.4 -30.2 68.0 0.591 0.0
ALA S:114 S:114 66.0 0.574 H -62.4 -30.1 66.0 0.574 0.0
ALA T:114 T:114 66.0 0.574 H -62.4 -30.2 66.0 0.574 0.0
ALA U:114 U:114 69.0 0.6 H -62.4 -30.1 69.0 0.6 0.0
ALA V:114 V:114 67.0 0.583 H -62.5 -30.1 67.0 0.583 0.0
ALA W:114 W:114 65.0 0.565 H -62.5 -30.1 65.0 0.565 0.0
5mvy 1 P68135 100.0 0.0 EM
 2018-02-14 ALA A:114 A:114 66.0 0.574 H -62.5 -30.0 66.0 0.574 0.0
ALA B:114 B:114 67.0 0.583 H -62.4 -30.1 67.0 0.583 0.0
ALA C:114 C:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA D:114 D:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA E:114 E:114 66.0 0.574 H -62.4 -30.1 66.0 0.574 0.0
ALA F:114 F:114 67.0 0.583 H -62.4 -30.0 67.0 0.583 0.0
ALA G:114 G:114 70.0 0.609 H -62.4 -30.1 70.0 0.609 0.0
ALA H:114 H:114 67.0 0.583 H -62.4 -30.1 67.0 0.583 0.0
ALA I:114 I:114 67.0 0.583 H -62.4 -30.1 67.0 0.583 0.0
ALA J:114 J:114 68.0 0.591 H -62.4 -30.2 68.0 0.591 0.0
ALA K:114 K:114 69.0 0.6 H -62.4 -30.2 69.0 0.6 0.0
ALA L:114 L:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA M:114 M:114 66.0 0.574 H -62.4 -30.1 66.0 0.574 0.0
ALA N:114 N:114 69.0 0.6 H -62.4 -30.1 69.0 0.6 0.0
ALA O:114 O:114 68.0 0.591 H -62.5 -30.1 68.0 0.591 0.0
ALA P:114 P:114 67.0 0.583 H -62.4 -30.1 67.0 0.583 0.0
ALA Q:114 Q:114 67.0 0.583 H -62.4 -30.1 67.0 0.583 0.0
ALA R:114 R:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA S:114 S:114 68.0 0.591 H -62.4 -30.2 68.0 0.591 0.0
ALA T:114 T:114 66.0 0.574 H -62.5 -30.1 66.0 0.574 0.0
ALA U:114 U:114 67.0 0.583 H -62.4 -30.2 67.0 0.583 0.0
ALA V:114 V:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
ALA W:114 W:114 68.0 0.591 H -62.4 -30.1 68.0 0.591 0.0
5onv 1 P68135 100.0 0.0 EM
 2018-06-13 ALA A:114 A:114 49.0 0.426 H -54.3 -30.5 49.0 0.426 0.0
ALA B:114 B:114 50.0 0.435 H -54.3 -30.5 46.0 0.4 0.035 A:P68135:0.035
ALA C:114 C:114 49.0 0.426 H -54.2 -30.6 45.0 0.391 0.035 B:P68135:0.035
ALA D:114 D:114 49.0 0.426 H -54.3 -30.5 45.0 0.391 0.035 C:P68135:0.035
ALA E:114 E:114 49.0 0.426 H -54.2 -30.6 46.0 0.4 0.026 D:P68135:0.026
5ooc 1 P68135 100.0 0.0 EM
 2018-06-13 ALA A:114 A:114 59.0 0.513 H -57.2 -27.4 59.0 0.513 0.0 9ZK
 3.578
 CB
 O43
ALA B:114 B:114 59.0 0.513 H -57.1 -27.4 58.0 0.504 0.009 A:P68135:0.009
 9ZK
 3.577
 CB
 O43
ALA C:114 C:114 57.0 0.496 H -57.1 -27.4 57.0 0.496 0.0 9ZK
 3.578
 CB
 O43
ALA D:114 D:114 59.0 0.513 H -57.2 -27.4 58.0 0.504 0.009 C:P68135:0.009
 9ZK
 3.577
 CB
 O43
ALA E:114 E:114 60.0 0.522 H -57.2 -27.4 59.0 0.513 0.009 D:P68135:0.009
 9ZK
 3.578
 CB
 O43
5ood 1 P68135 100.0 0.0 EM
 2018-06-13 ALA A:114 A:114 42.0 0.365 H -57.3 -27.6 42.0 0.365 0.0 9ZK
 3.594
 CB
 O43
ALA B:114 B:114 45.0 0.391 H -57.3 -27.6 44.0 0.383 0.008 A:P68135:0.009
 9ZK
 3.595
 CB
 O43
ALA C:114 C:114 43.0 0.374 H -57.3 -27.6 43.0 0.374 0.0 9ZK
 3.594
 CB
 O43
ALA D:114 D:114 43.0 0.374 H -57.3 -27.6 42.0 0.365 0.009 C:P68135:0.009
 9ZK
 3.594
 CB
 O43
ALA E:114 E:114 44.0 0.383 H -57.3 -27.6 44.0 0.383 0.0 9ZK
 3.594
 CB
 O43
5ooe 1 P68135 100.0 0.0 EM
 2018-06-13 ALA A:114 A:114 58.0 0.504 H -60.4 -23.7 58.0 0.504 0.0
ALA B:114 B:114 59.0 0.513 H -60.4 -23.7 56.0 0.487 0.026 A:P68135:0.026
ALA C:114 C:114 59.0 0.513 H -60.4 -23.8 56.0 0.487 0.026 B:P68135:0.026
ALA D:114 D:114 58.0 0.504 H -60.4 -23.8 56.0 0.487 0.017 C:P68135:0.017
ALA E:114 E:114 59.0 0.513 H -60.4 -23.7 57.0 0.496 0.017 D:P68135:0.017
5oof 1 P68135 100.0 0.0 EM
 2018-06-13 ALA A:114 A:114 43.0 0.374 H -63.0 -22.9 43.0 0.374 0.0
ALA B:114 B:114 44.0 0.383 H -62.9 -23.0 43.0 0.374 0.009 A:P68135:0.009
ALA C:114 C:114 45.0 0.391 H -62.9 -22.9 45.0 0.391 0.0
ALA D:114 D:114 44.0 0.383 H -62.9 -22.9 43.0 0.374 0.009 C:P68135:0.009
ALA E:114 E:114 43.0 0.374 H -62.9 -22.9 43.0 0.374 0.0
5yu8 1 P68139 100.0 0.0 EM
 2018-05-23 ALA A:114 A:114 75.0 0.652 H -71.7 -27.6 75.0 0.652 0.0
ALA B:114 B:114 76.0 0.661 H -71.7 -27.6 76.0 0.661 0.0
ALA C:114 C:114 73.0 0.635 H -71.6 -27.6 73.0 0.635 0.0
ALA D:114 D:114 74.0 0.643 H -71.6 -27.6 74.0 0.643 0.0
ALA E:114 E:114 74.0 0.643 H -71.7 -27.6 74.0 0.643 0.0
6c1d 1 P68135 100.0 0.0 EM
 2018-01-31 ALA A:114 A:114 63.0 0.548 H -77.2 -19.9 60.0 0.522 0.026 B:P68135:0.026
ALA B:114 B:114 59.0 0.513 H -77.2 -19.9 56.0 0.487 0.026 C:P68135:0.026
ALA C:114 C:114 63.0 0.548 H -77.2 -19.9 54.0 0.47 0.078 D:P68135:0.035
H:None:0.043
ALA D:114 D:114 55.0 0.478 H -77.2 -19.9 52.0 0.452 0.026 E:P68135:0.026
ALA E:114 E:114 54.0 0.47 H -77.2 -20.0 54.0 0.47 0.0
6c1g 3 P68135 100.0 0.0 EM
 2018-01-31 ALA C:114 A:114 61.0 0.53 H -73.3 -16.0 58.0 0.504 0.026 D:P68135:0.026
ALA D:114 B:114 60.0 0.522 H -73.2 -16.1 57.0 0.496 0.026 E:P68135:0.026
ALA E:114 C:114 60.0 0.522 H -73.2 -16.1 58.0 0.504 0.018 F:P68135:0.017
ALA F:114 D:114 59.0 0.513 H -73.2 -16.0 58.0 0.504 0.009 G:P68135:0.009
ALA G:114 E:114 60.0 0.522 H -73.2 -16.1 60.0 0.522 0.0
6c1h 1 P68135 100.0 0.0 EM
 2018-01-31 ALA A:114 A:114 50.0 0.435 H -72.8 -22.4 49.0 0.426 0.009 B:P68135:0.009
ALA B:114 B:114 52.0 0.452 H -72.8 -22.5 51.0 0.443 0.009 C:P68135:0.009
ALA C:114 C:114 51.0 0.443 H -72.8 -22.5 50.0 0.435 0.008 D:P68135:0.009
ALA D:114 D:114 51.0 0.443 H -72.8 -22.5 50.0 0.435 0.008 E:P68135:0.009
ALA E:114 E:114 51.0 0.443 H -72.8 -22.5 51.0 0.443 0.0
6d8c 2 P68139 100.0 0.0 EM
 2018-09-19 ALA B:114 H:114 64.0 0.557 H -63.9 -44.2 60.0 0.522 0.035 M:None:0.035
ALA D:114 J:114 62.0 0.539 H -63.9 -44.1 62.0 0.539 0.0
ALA F:114 K:114 63.0 0.548 H -63.9 -44.2 58.0 0.504 0.044 B:P68139:0.009
K:None:0.043
ALA H:114 L:114 65.0 0.565 H -63.9 -44.2 62.0 0.539 0.026 L:None:0.026
ALA J:114 M:114 63.0 0.548 H -63.9 -44.1 62.0 0.539 0.009 F:P68139:0.009
6djm 1 P68139 100.0 0.0 EM
 2019-02-27 ALA A:114 A:114 64.0 0.557 H -72.7 -16.7 64.0 0.557 0.0
ALA B:114 B:114 67.0 0.583 H -72.7 -16.7 66.0 0.574 0.009 C:P68139:0.009
ALA C:114 C:114 65.0 0.565 H -72.6 -16.7 65.0 0.565 0.0
ALA D:114 D:114 62.0 0.539 H -72.7 -16.8 62.0 0.539 0.0
6djn 1 P68139 100.0 0.0 EM
 2019-02-27 ALA A:114 A:114 67.0 0.583 H -72.4 -18.1 66.0 0.574 0.009 B:P68139:0.009
ALA B:114 B:114 67.0 0.583 H -72.4 -18.1 66.0 0.574 0.009 C:P68139:0.009
ALA C:114 C:114 67.0 0.583 H -72.4 -18.1 66.0 0.574 0.009 D:P68139:0.009
ALA D:114 D:114 68.0 0.591 H -72.4 -18.1 68.0 0.591 0.0
6djo 1 P68139 100.0 0.0 EM
 2019-02-27 ALA A:114 A:114 70.0 0.609 H -82.4 -12.0 69.0 0.6 0.009 B:P68139:0.009
ALA B:114 B:114 70.0 0.609 H -82.3 -12.1 69.0 0.6 0.009 C:P68139:0.009
ALA C:114 C:114 70.0 0.609 H -82.4 -12.0 68.0 0.591 0.018 D:P68139:0.017
ALA D:114 D:114 70.0 0.609 H -82.4 -12.1 70.0 0.609 0.0
6fhl 1 P68135 100.0 0.0 EM
 2018-06-13 ALA A:114 A:114 61.0 0.53 H -62.5 -22.2 61.0 0.53 0.0
ALA B:114 B:114 61.0 0.53 H -62.5 -22.2 60.0 0.522 0.008 A:P68135:0.009
ALA C:114 C:114 63.0 0.548 H -62.6 -22.1 62.0 0.539 0.009 B:P68135:0.009
ALA D:114 D:114 61.0 0.53 H -62.5 -22.1 59.0 0.513 0.017 C:P68135:0.017
ALA E:114 E:114 61.0 0.53 H -62.6 -22.1 59.0 0.513 0.017 D:P68135:0.017
6fm2 1 P68135 100.0 0.0 X-RAY
 2018-05-16 ALA A:114 A:114 66.0 0.574 H -64.6 -38.4 16.0 0.139 0.435 B:P40124:0.304
B:P40124:0.217
 HOH
 4.331
 CB
 O
6kll 1 P68134 100.0 0.0 EM
 2020-01-15 ALA A:114 A:114 65.0 0.565 H -66.9 -28.0 63.0 0.548 0.017 B:P68134:0.017
ALA B:114 B:114 65.0 0.565 H -66.8 -28.0 65.0 0.565 0.0
ALA C:114 C:114 65.0 0.565 H -66.9 -27.9 64.0 0.557 0.008 D:P68134:0.009
ALA D:114 D:114 64.0 0.557 H -66.9 -27.9 64.0 0.557 0.0
6kln 1 P68134 100.0 0.0 EM
 2020-01-15 ALA A:114 A:114 66.0 0.574 H -83.6 -29.7 65.0 0.565 0.009 B:P68134:0.009
ALA B:114 B:114 64.0 0.557 H -83.6 -29.6 64.0 0.557 0.0
ALA C:114 C:114 66.0 0.574 H -83.6 -29.7 66.0 0.574 0.0
ALA D:114 D:114 66.0 0.574 H -83.6 -29.6 66.0 0.574 0.0
6kn7 1 P68135 100.0 0.0 EM
 2020-01-15 ALA A:114 A:114 46.0 0.4 H -59.6 -24.9 46.0 0.4 0.0
ALA B:114 B:114 49.0 0.426 H -58.2 -29.0 49.0 0.426 0.0
ALA C:114 C:114 60.0 0.522 H -57.9 -29.6 59.0 0.513 0.009 D:P68135:0.009
ALA D:114 D:114 60.0 0.522 H -59.0 -27.4 59.0 0.513 0.009 E:P68135:0.009
ALA E:114 E:114 68.0 0.591 H -56.7 -31.5 67.0 0.583 0.008 F:P68135:0.009
ALA F:114 F:114 62.0 0.539 H -63.0 -23.1 62.0 0.539 0.0
ALA G:114 G:114 51.0 0.443 H -58.1 -28.4 50.0 0.435 0.008 H:P68135:0.009
ALA H:114 H:114 35.0 0.304 H -57.1 -34.6 35.0 0.304 0.0
ALA I:114 I:114 51.0 0.443 H -58.5 -28.8 51.0 0.443 0.0
ALA J:114 J:114 43.0 0.374 H -57.8 -29.2 43.0 0.374 0.0
ALA K:114 K:114 59.0 0.513 H -57.3 -32.5 55.0 0.478 0.035 L:P68135:0.035
ALA L:114 L:114 62.0 0.539 H -60.2 -32.1 62.0 0.539 0.0
ALA M:114 M:114 57.0 0.496 H -58.3 -32.1 52.0 0.452 0.044 N:P68135:0.043
ALA N:114 N:114 43.0 0.374 H -60.7 -30.7 43.0 0.374 0.0
ALA O:114 O:114 57.0 0.496 H -60.0 -32.1 57.0 0.496 0.0
6kn8 1 P68135 100.0 0.0 EM
 2020-01-15 ALA A:114 A:114 42.0 0.365 H -61.3 -28.6 42.0 0.365 0.0
ALA B:114 B:114 51.0 0.443 H -57.8 -32.4 51.0 0.443 0.0
ALA C:114 C:114 47.0 0.409 H -60.5 -29.7 47.0 0.409 0.0
ALA D:114 D:114 45.0 0.391 H -57.8 -25.0 45.0 0.391 0.0
ALA E:114 E:114 53.0 0.461 H -59.8 -31.1 53.0 0.461 0.0
ALA F:114 F:114 52.0 0.452 H -58.1 -30.6 51.0 0.443 0.009 G:P68135:0.009
ALA G:114 G:114 43.0 0.374 H -59.7 -30.9 43.0 0.374 0.0
ALA H:114 H:114 35.0 0.304 H -57.2 -33.4 33.0 0.287 0.017 I:P68135:0.017
ALA I:114 I:114 33.0 0.287 H -60.1 -31.5 29.0 0.252 0.035 J:P68135:0.035
ALA J:114 J:114 46.0 0.4 H -57.9 -28.8 46.0 0.4 0.0
ALA K:114 K:114 56.0 0.487 H -60.6 -31.3 56.0 0.487 0.0
ALA L:114 L:114 51.0 0.443 H -56.6 -31.2 50.0 0.435 0.008 M:P68135:0.009
ALA M:114 M:114 45.0 0.391 H -57.8 -29.4 44.0 0.383 0.008 N:P68135:0.009
ALA N:114 N:114 38.0 0.33 H -57.6 -30.0 38.0 0.33 0.0
ALA O:114 O:114 52.0 0.452 H -57.3 -32.8 52.0 0.452 0.0
6rsw 1 P68135 100.0 0.0 X-RAY
 2019-11-27 ALA A:114 A:114 66.0 0.574 H -63.1 -29.9 66.0 0.574 0.0 HOH
 2.781
 O
 O
6t1y 1 P68135 100.0 0.0 EM
 2020-03-04 ALA A:114 A:114 63.0 0.548 H -61.4 -22.4 63.0 0.548 0.0
ALA B:114 B:114 65.0 0.565 H -61.3 -22.5 64.0 0.557 0.008 A:P68135:0.009
ALA C:114 C:114 63.0 0.548 H -61.4 -22.4 62.0 0.539 0.009 B:P68135:0.009
ALA D:114 D:114 63.0 0.548 H -61.3 -22.4 62.0 0.539 0.009 C:P68135:0.009
ALA E:114 E:114 62.0 0.539 H -61.4 -22.4 62.0 0.539 0.0
6t20 1 P68135 100.0 0.0 EM
 2020-03-04 ALA A:114 A:114 58.0 0.504 H -54.4 -28.4 58.0 0.504 0.0
ALA B:114 B:114 59.0 0.513 H -54.4 -28.4 59.0 0.513 0.0
ALA C:114 C:114 57.0 0.496 H -54.4 -28.4 57.0 0.496 0.0
ALA D:114 D:114 57.0 0.496 H -54.3 -28.4 57.0 0.496 0.0
ALA E:114 E:114 58.0 0.504 H -54.4 -28.4 58.0 0.504 0.0
6t23 1 P68135 100.0 0.0 EM
 2020-03-04 ALA A:114 A:114 49.0 0.426 H -59.9 -28.6 49.0 0.426 0.0 9ZK
 3.512
 CB
 O43
ALA B:114 B:114 49.0 0.426 H -60.0 -28.6 48.0 0.417 0.009 A:P68135:0.009
 9ZK
 3.512
 CB
 O43
ALA C:114 C:114 51.0 0.443 H -60.0 -28.6 50.0 0.435 0.008 B:P68135:0.009
 9ZK
 3.513
 CB
 O43
ALA D:114 D:114 49.0 0.426 H -60.0 -28.6 48.0 0.417 0.009 C:P68135:0.009
 9ZK
 3.513
 CB
 O43
ALA E:114 E:114 49.0 0.426 H -60.1 -28.6 48.0 0.417 0.009 D:P68135:0.009
 9ZK
 3.512
 CB
 O43
6t24 1 P68135 100.0 0.0 EM
 2020-03-04 ALA A:114 A:114 53.0 0.461 H -56.4 -29.0 53.0 0.461 0.0 9ZK
 3.556
 CB
 O43
ALA B:114 B:114 52.0 0.452 H -56.3 -29.0 51.0 0.443 0.009 A:P68135:0.009
 9ZK
 3.557
 CB
 O43
ALA C:114 C:114 52.0 0.452 H -56.3 -29.0 52.0 0.452 0.0 9ZK
 3.557
 CB
 O43
ALA D:114 D:114 52.0 0.452 H -56.3 -29.0 51.0 0.443 0.009 C:P68135:0.009
 9ZK
 3.556
 CB
 O43
ALA E:114 E:114 54.0 0.47 H -56.3 -29.0 53.0 0.461 0.009 D:P68135:0.009
 9ZK
 3.557
 CB
 O43
6t25 1 P68135 100.0 0.0 EM
 2020-03-04 ALA A:114 A:114 74.0 0.643 H -60.4 -35.2 74.0 0.643 0.0
ALA B:114 B:114 74.0 0.643 H -60.3 -35.3 68.0 0.591 0.052 A:P68135:0.052
ALA C:114 C:114 73.0 0.635 H -60.3 -35.3 67.0 0.583 0.052 B:P68135:0.052
ALA D:114 D:114 74.0 0.643 H -60.3 -35.3 69.0 0.6 0.043 C:P68135:0.043
ALA E:114 E:114 74.0 0.643 H -60.3 -35.2 68.0 0.591 0.052 D:P68135:0.052
6upv 2 P68139 100.0 0.0 EM
 2020-09-30 ALA B:114 A:114 61.0 0.53 T -91.4 15.3 61.0 0.53 0.0
ALA D:114 B:114 60.0 0.522 T -90.6 12.1 58.0 0.504 0.018 B:P68139:0.017
ALA E:114 C:114 62.0 0.539 T -86.5 4.3 60.0 0.522 0.017 D:P68139:0.017
ALA F:114 D:114 61.0 0.53 H -83.1 2.1 60.0 0.522 0.008 E:P68139:0.009
ALA G:114 E:114 57.0 0.496 T -82.4 -0.9 56.0 0.487 0.009 F:P68139:0.009
6upw 2 P68139 100.0 0.0 EM
 2020-09-30 ALA B:114 C:114 45.0 0.391 H -75.8 -18.3 45.0 0.391 0.0
ALA D:114 B:114 43.0 0.374 H -79.5 -14.1 42.0 0.365 0.009 E:P68139:0.009
ALA E:114 A:114 60.0 0.522 H -80.2 -8.9 60.0 0.522 0.0
ALA F:114 D:114 48.0 0.417 H -75.6 -18.4 47.0 0.409 0.008 B:P68139:0.009
ALA G:114 E:114 53.0 0.461 H -73.1 -21.6 52.0 0.452 0.009 F:P68139:0.009
6yp9 1 P68135 100.0 0.0 X-RAY
 2020-12-09 ALA A:114 A:114 75.0 0.652 H -69.4 -34.9 75.0 0.652 0.0 HOH
 4.795
 C
 O
7c2f 1 P68135 100.0 0.0 X-RAY
 2020-08-05 ALA A:114 A:114 69.0 0.6 H -62.8 -36.3 69.0 0.6 0.0 HOH
 2.416
 H
 O
ALA C:114 C:114 69.0 0.6 H -61.0 -35.4 NA NA NA
7k20 1 P68139 100.0 0.0 EM
 2020-11-04 ALA A:114 A:114 57.0 0.496 H -70.3 -21.3 57.0 0.496 0.0
ALA B:114 B:114 60.0 0.522 H -68.7 -19.5 59.0 0.513 0.009 C:P68139:0.009
ALA C:114 C:114 59.0 0.513 H -71.0 -17.2 58.0 0.504 0.009 D:P68139:0.009
ALA D:114 D:114 58.0 0.504 H -70.5 -17.4 58.0 0.504 0.0
7k21 1 P68139 100.0 0.0 EM
 2020-11-04 ALA A:114 A:114 52.0 0.452 H -72.3 -18.1 51.0 0.443 0.009 B:P68139:0.009
ALA B:114 B:114 54.0 0.47 H -72.3 -17.7 53.0 0.461 0.009 C:P68139:0.009
ALA C:114 C:114 51.0 0.443 H -72.5 -17.6 51.0 0.443 0.0
ALA D:114 D:114 53.0 0.461 H -72.4 -18.5 53.0 0.461 0.0
7ko4 1 ? 100.0 0.0 EM
 2021-03-24 ALA A:114 A:114 47.0 0.409 H -59.7 -24.9 47.0 0.409 0.0
ALA B:114 B:114 47.0 0.409 H -58.1 -29.0 47.0 0.409 0.0
ALA C:114 C:114 60.0 0.522 H -57.9 -29.7 60.0 0.522 0.0
ALA D:114 D:114 59.0 0.513 H -59.0 -27.4 59.0 0.513 0.0
ALA E:114 E:114 69.0 0.6 H -56.7 -31.5 68.0 0.591 0.009 F:None:0.009
ALA F:114 F:114 62.0 0.539 H -63.2 -22.9 62.0 0.539 0.0
ALA G:114 G:114 51.0 0.443 H -58.1 -28.4 51.0 0.443 0.0
ALA H:114 H:114 36.0 0.313 H -57.0 -34.7 36.0 0.313 0.0
ALA I:114 I:114 52.0 0.452 H -58.2 -28.9 52.0 0.452 0.0
ALA J:114 J:114 43.0 0.374 H -57.8 -29.2 43.0 0.374 0.0
ALA K:114 K:114 59.0 0.513 H -57.3 -32.5 55.0 0.478 0.035 L:None:0.035
ALA L:114 L:114 60.0 0.522 H -60.1 -32.2 60.0 0.522 0.0
ALA M:114 M:114 58.0 0.504 H -58.3 -32.1 53.0 0.461 0.043 N:None:0.043
ALA N:114 N:114 45.0 0.391 H -60.8 -30.6 45.0 0.391 0.0
ALA O:114 O:114 55.0 0.478 H -60.0 -32.2 55.0 0.478 0.0
7ko5 1 ? 100.0 0.0 EM
 2021-03-24 ALA A:114 A:114 43.0 0.374 H -61.4 -28.6 43.0 0.374 0.0
ALA B:114 B:114 53.0 0.461 H -57.9 -32.3 52.0 0.452 0.009 C:None:0.009
ALA C:114 C:114 48.0 0.417 H -60.5 -29.8 48.0 0.417 0.0
ALA D:114 D:114 45.0 0.391 H -57.9 -25.0 45.0 0.391 0.0
ALA E:114 E:114 55.0 0.478 H -59.7 -31.1 55.0 0.478 0.0
ALA F:114 F:114 52.0 0.452 H -58.1 -30.5 51.0 0.443 0.009 G:None:0.009
ALA G:114 G:114 45.0 0.391 H -59.7 -30.9 45.0 0.391 0.0
ALA H:114 H:114 36.0 0.313 H -57.2 -33.4 33.0 0.287 0.026 I:None:0.026
ALA I:114 I:114 33.0 0.287 H -60.1 -31.5 30.0 0.261 0.026 J:None:0.026
ALA J:114 J:114 46.0 0.4 H -57.8 -28.8 46.0 0.4 0.0
ALA K:114 K:114 57.0 0.496 H -60.5 -31.4 57.0 0.496 0.0
ALA L:114 L:114 51.0 0.443 H -56.6 -31.1 50.0 0.435 0.008 M:None:0.009
ALA M:114 M:114 45.0 0.391 H -57.7 -29.4 44.0 0.383 0.008 N:None:0.009
ALA N:114 N:114 37.0 0.322 H -57.6 -30.0 37.0 0.322 0.0
ALA O:114 O:114 53.0 0.461 H -57.4 -32.7 53.0 0.461 0.0
7ko7 1 ? 100.0 0.0 EM
 2021-03-24 ALA A:114 A:114 47.0 0.409 H -59.6 -25.1 47.0 0.409 0.0
ALA B:114 B:114 48.0 0.417 H -58.1 -29.1 47.0 0.409 0.008 C:None:0.009
ALA C:114 C:114 60.0 0.522 H -57.9 -29.6 60.0 0.522 0.0
ALA D:114 D:114 59.0 0.513 H -59.0 -27.3 59.0 0.513 0.0
ALA E:114 E:114 70.0 0.609 H -56.7 -31.4 68.0 0.591 0.018 F:None:0.017
ALA F:114 F:114 62.0 0.539 H -63.0 -23.1 62.0 0.539 0.0
ALA G:114 G:114 51.0 0.443 H -58.1 -28.3 51.0 0.443 0.0
ALA H:114 H:114 36.0 0.313 H -57.2 -34.5 36.0 0.313 0.0
ALA I:114 I:114 53.0 0.461 H -58.4 -28.9 53.0 0.461 0.0
ALA J:114 J:114 43.0 0.374 H -57.8 -29.2 43.0 0.374 0.0
ALA K:114 K:114 58.0 0.504 H -57.4 -32.4 54.0 0.47 0.034 L:None:0.035
ALA L:114 L:114 61.0 0.53 H -60.3 -32.1 61.0 0.53 0.0
ALA M:114 M:114 58.0 0.504 H -58.3 -32.2 53.0 0.461 0.043 N:None:0.043
ALA N:114 N:114 45.0 0.391 H -60.8 -30.6 45.0 0.391 0.0
ALA O:114 O:114 54.0 0.47 H -60.1 -32.1 54.0 0.47 0.0
7kon 1 ? 100.0 0.0 EM
 2021-03-24 ALA A:114 A:114 46.0 0.4 H -59.7 -25.0 46.0 0.4 0.0
ALA B:114 B:114 48.0 0.417 H -58.1 -29.1 47.0 0.409 0.008 C:None:0.009
ALA C:114 C:114 61.0 0.53 H -57.9 -29.6 61.0 0.53 0.0
ALA D:114 D:114 59.0 0.513 H -58.9 -27.3 59.0 0.513 0.0
ALA E:114 E:114 70.0 0.609 H -56.8 -31.4 68.0 0.591 0.018 F:None:0.017
ALA F:114 F:114 62.0 0.539 H -63.1 -23.1 62.0 0.539 0.0
ALA G:114 G:114 51.0 0.443 H -58.1 -28.4 51.0 0.443 0.0
ALA H:114 H:114 35.0 0.304 H -57.2 -34.5 35.0 0.304 0.0
ALA I:114 I:114 53.0 0.461 H -58.4 -28.9 53.0 0.461 0.0
ALA J:114 J:114 43.0 0.374 H -57.8 -29.2 43.0 0.374 0.0
ALA K:114 K:114 59.0 0.513 H -57.4 -32.4 55.0 0.478 0.035 L:None:0.035
ALA L:114 L:114 61.0 0.53 H -60.2 -32.1 61.0 0.53 0.0
ALA M:114 M:114 57.0 0.496 H -58.2 -32.2 53.0 0.461 0.035 N:None:0.035
ALA N:114 N:114 44.0 0.383 H -60.8 -30.6 44.0 0.383 0.0
ALA O:114 O:114 55.0 0.478 H -60.1 -32.1 55.0 0.478 0.0
7kor 1 ? 100.0 0.0 EM
 2021-03-24 ALA A:114 A:114 46.0 0.4 H -59.6 -25.0 46.0 0.4 0.0
ALA B:114 B:114 48.0 0.417 H -58.1 -29.1 47.0 0.409 0.008 C:None:0.009
ALA C:114 C:114 60.0 0.522 H -57.8 -29.7 60.0 0.522 0.0
ALA D:114 D:114 60.0 0.522 H -59.0 -27.2 60.0 0.522 0.0
ALA E:114 E:114 69.0 0.6 H -56.8 -31.4 68.0 0.591 0.009 F:None:0.009
ALA F:114 F:114 62.0 0.539 H -63.1 -23.1 62.0 0.539 0.0
ALA G:114 G:114 52.0 0.452 H -58.0 -28.4 52.0 0.452 0.0
ALA H:114 H:114 35.0 0.304 H -57.1 -34.6 35.0 0.304 0.0
ALA I:114 I:114 52.0 0.452 H -58.4 -29.0 52.0 0.452 0.0
ALA J:114 J:114 43.0 0.374 H -57.8 -29.2 43.0 0.374 0.0
ALA K:114 K:114 59.0 0.513 H -57.3 -32.4 55.0 0.478 0.035 L:None:0.035
ALA L:114 L:114 60.0 0.522 H -60.3 -32.1 60.0 0.522 0.0
ALA M:114 M:114 57.0 0.496 H -58.3 -32.2 53.0 0.461 0.035 N:None:0.035
ALA N:114 N:114 44.0 0.383 H -60.7 -30.6 44.0 0.383 0.0
ALA O:114 O:114 55.0 0.478 H -60.1 -32.1 55.0 0.478 0.0
7nxv 1 P68135 100.0 0.0 X-RAY
 2021-09-29 ALA A:114 A:114 73.0 0.635 H -61.4 -40.2 73.0 0.635 0.0 HOH
 8.005
 N
 O
ALA D:114 D:114 73.0 0.635 H -62.5 -34.4 NA NA NA
7nzm 3 P68135 100.0 0.0 EM
 2021-09-29 ALA C:114 A:114 77.0 0.67 H -61.4 -40.1 77.0 0.67 0.0
3g37 1 P68135 100.0 0.0 EM
 2010-11-03 ALA A:115 O:114 52.0 0.452 H -73.8 -52.0 52.0 0.452 0.0
ALA B:115 P:114 60.0 0.522 H -59.8 -60.1 36.0 0.313 0.209 A:P68135:0.209
ALA C:115 Q:114 49.0 0.426 H -81.5 -45.1 43.0 0.374 0.052 B:P68135:0.052
ALA D:115 R:114 63.0 0.548 H -66.4 -59.6 46.0 0.4 0.148 C:P68135:0.148
ALA E:115 S:114 60.0 0.522 H -69.0 -68.2 53.0 0.461 0.061 D:P68135:0.061
ALA F:115 T:114 60.0 0.522 H -78.6 -46.7 44.0 0.383 0.139 E:P68135:0.139
ALA G:115 U:114 56.0 0.487 H -71.2 -58.6 41.0 0.357 0.13 F:P68135:0.13
ALA H:115 V:114 62.0 0.539 H -37.7 -67.0 42.0 0.365 0.174 G:P68135:0.174
ALA I:115 W:114 57.0 0.496 H -72.0 -52.4 39.0 0.339 0.157 H:P68135:0.157
ALA J:115 X:114 59.0 0.513 H -56.5 -72.0 44.0 0.383 0.13 I:P68135:0.13
ALA K:115 Y:114 57.0 0.496 H -77.9 -54.9 40.0 0.348 0.148 J:P68135:0.148
ALA L:115 Z:114 55.0 0.478 H -74.8 -54.8 49.0 0.426 0.052 K:P68135:0.052
7jh7 1 B6VNT8 98.94 0.0 EM
 2020-10-28 ALA A:116 A:114 69.0 0.6 H -67.5 -28.4 65.0 0.565 0.035 H:B6VNT8:0.035
ALA C:116 B:114 67.0 0.583 H -67.6 -28.3 67.0 0.583 0.0
ALA E:116 C:114 66.0 0.574 H -67.6 -28.3 62.0 0.539 0.035 G:B6VNT8:0.035
ALA G:116 E:114 69.0 0.6 H -67.5 -28.3 66.0 0.574 0.026 A:B6VNT8:0.026
ALA H:116 D:114 67.0 0.583 H -67.6 -28.3 64.0 0.557 0.026 C:B6VNT8:0.026
7lrg 1 B6VNT8 98.94 0.0 EM
 2021-08-11 ALA A:116 A:114 67.0 0.583 H -67.5 -28.4 67.0 0.583 0.0
ALA B:116 B:114 67.0 0.583 H -67.5 -28.4 65.0 0.565 0.018 A:B6VNT8:0.017
ALA C:116 C:114 68.0 0.591 H -67.6 -28.3 65.0 0.565 0.026 B:B6VNT8:0.026
ALA D:116 D:114 67.0 0.583 H -67.6 -28.3 64.0 0.557 0.026 C:B6VNT8:0.026
ALA E:116 E:114 67.0 0.583 H -67.5 -28.4 64.0 0.557 0.026 D:B6VNT8:0.026
ALA F:116 F:114 67.0 0.583 H -67.5 -28.3 63.0 0.548 0.035 E:B6VNT8:0.035
7nep 1 P68134 100.0 0.0 EM
 2021-04-07 ALA A:113 A:116 63.0 0.548 H -56.2 -32.5 63.0 0.548 0.0
ALA B:113 B:116 62.0 0.539 H -55.8 -32.8 62.0 0.539 0.0
ALA C:113 C:116 61.0 0.53 H -57.5 -37.5 60.0 0.522 0.008 A:P68134:0.009
ALA D:113 D:116 61.0 0.53 H -57.4 -37.5 61.0 0.53 0.0
ALA E:113 E:116 61.0 0.53 H -57.5 -37.5 61.0 0.53 0.0
ALA F:113 F:116 61.0 0.53 H -57.3 -37.6 61.0 0.53 0.0
ALA G:113 G:116 62.0 0.539 H -57.4 -37.5 60.0 0.522 0.017 B:P68134:0.017
ALA H:113 H:116 60.0 0.522 H -57.5 -37.4 60.0 0.522 0.0
ALA I:113 I:116 59.0 0.513 H -57.4 -37.4 59.0 0.513 0.0
ALA J:113 J:116 61.0 0.53 H -57.5 -37.4 61.0 0.53 0.0
ALA K:113 K:116 61.0 0.53 H -57.5 -37.4 61.0 0.53 0.0
6nas 1 P68135 100.0 0.0 X-RAY
 2020-01-29 ALA A:114 A:114 68.0 0.591 H -59.3 -29.6 68.0 0.591 0.0
6nbe 1 P68135 100.0 0.0 X-RAY
 2020-04-15 ALA A:114 A:114 68.0 0.591 H -69.0 -26.4 68.0 0.591 0.0 HOH
 2.002
 H
 O
5zza 2 P68135 100.0 0.0 X-RAY
 2018-10-10 ALA B:112 A:114 69.0 0.6 H -57.2 -38.2 69.0 0.6 0.0 HOH
 2.786
 O
 O
7r91 1 P68139 100.0 0.0 EM
 2021-07-28 ALA A:112 A:114 65.0 0.565 H -61.3 -32.9 65.0 0.565 0.0
ALA B:112 B:114 63.0 0.548 H -61.4 -32.8 62.0 0.539 0.009 C:P68139:0.009
ALA C:112 C:114 66.0 0.574 H -61.3 -32.9 65.0 0.565 0.009 A:P68139:0.009
7rb8 1 P68139 100.0 0.0 EM
 2021-07-28 ALA A:112 A:114 61.0 0.53 H -60.0 -30.1 61.0 0.53 0.0
ALA C:112 B:114 62.0 0.539 H -60.0 -30.0 61.0 0.53 0.009 D:P68139:0.009
ALA D:112 C:114 61.0 0.53 H -60.0 -30.1 61.0 0.53 0.0
7rb9 1 P68139 100.0 0.0 EM
 2021-07-28 ALA A:112 B:114 65.0 0.565 H -59.7 -31.9 64.0 0.557 0.008 D:P68139:0.009
ALA C:112 A:114 64.0 0.557 H -59.8 -31.8 64.0 0.557 0.0
ALA D:112 C:114 65.0 0.565 H -59.8 -31.8 64.0 0.557 0.008 C:P68139:0.009
5kg8 2 P68135 99.73 0.0 EM
 2016-09-07 ALA B:114 NA:NA DO NA DO DO DO NA NA NA
ALA C:114 NA:NA DO NA DO DO DO NA NA NA
ALA D:114 NA:NA DO NA DO DO DO NA NA NA
6bno 1 P68135 100.0 0.0 EM
 2018-01-10 ALA A:116 A:114 24.0 0.209 T -120.2 30.2 24.0 0.209 0.0
ALA B:116 B:114 48.0 0.417 T -110.2 35.3 48.0 0.417 0.0
ALA C:116 C:114 47.0 0.409 T -97.6 29.8 47.0 0.409 0.0
ALA D:116 D:114 48.0 0.417 T -104.7 29.0 48.0 0.417 0.0
ALA E:116 E:114 27.0 0.235 T -115.1 31.7 27.0 0.235 0.0
ALA F:116 F:114 46.0 0.4 S -105.5 29.2 46.0 0.4 0.0
ALA G:116 G:114 42.0 0.365 T -113.1 33.4 42.0 0.365 0.0
ALA H:116 H:114 33.0 0.287 T -107.7 28.7 33.0 0.287 0.0
6bnp 2 P68135 100.0 0.0 EM
 2018-01-10 ALA G:116 A:114 56.0 0.487 T -110.5 63.7 56.0 0.487 0.0
ALA H:116 B:114 42.0 0.365 T -106.8 23.2 42.0 0.365 0.0
ALA I:116 C:114 34.0 0.296 T -111.6 35.0 34.0 0.296 0.0
ALA J:116 D:114 37.0 0.322 T -110.6 34.6 37.0 0.322 0.0
ALA K:116 E:114 45.0 0.391 T -104.0 48.7 45.0 0.391 0.0
ALA L:116 F:114 50.0 0.435 T -108.3 64.6 45.0 0.391 0.044 K:P68135:0.043
ALA M:116 G:114 40.0 0.348 T -109.1 31.9 40.0 0.348 0.0
ALA N:116 H:114 49.0 0.426 T -99.7 28.1 49.0 0.426 0.0
6bnq 2 P68135 100.0 0.0 EM
 2018-01-10 ALA G:116 A:114 36.0 0.313 T -111.8 21.2 36.0 0.313 0.0
ALA H:116 B:114 43.0 0.374 T -106.3 21.8 43.0 0.374 0.0
ALA I:116 C:114 34.0 0.296 T -111.6 30.3 34.0 0.296 0.0
ALA J:116 D:114 31.0 0.27 T -114.2 28.9 31.0 0.27 0.0
ALA K:116 E:114 52.0 0.452 T -101.7 23.8 52.0 0.452 0.0
ALA L:116 F:114 41.0 0.357 T -104.9 28.9 41.0 0.357 0.0
ALA M:116 G:114 35.0 0.304 T -108.3 25.5 35.0 0.304 0.0
ALA N:116 H:114 37.0 0.322 T -106.5 23.4 37.0 0.322 0.0
6bnu 1 P68135 100.0 0.0 EM
 2018-01-10 ALA A:116 A:114 63.0 0.548 T -109.2 30.9 63.0 0.548 0.0
ALA B:116 B:114 65.0 0.565 T -109.2 31.0 65.0 0.565 0.0
ALA C:116 C:114 65.0 0.565 T -109.3 31.0 65.0 0.565 0.0
ALA D:116 D:114 63.0 0.548 T -109.3 31.0 63.0 0.548 0.0
ALA E:116 E:114 65.0 0.565 T -109.2 30.9 65.0 0.565 0.0
ALA F:116 F:114 66.0 0.574 T -109.2 30.9 66.0 0.574 0.0
ALA G:116 G:114 64.0 0.557 T -109.1 30.9 64.0 0.557 0.0
ALA H:116 H:114 65.0 0.565 T -109.2 30.9 65.0 0.565 0.0
6bnv 2 P68135 100.0 0.0 EM
 2018-01-10 ALA G:116 A:114 70.0 0.609 T -109.2 41.2 70.0 0.609 0.0
ALA H:116 B:114 70.0 0.609 T -109.3 41.2 70.0 0.609 0.0
ALA I:116 C:114 70.0 0.609 T -109.2 41.2 70.0 0.609 0.0
ALA J:116 D:114 72.0 0.626 T -109.2 41.2 72.0 0.626 0.0
ALA K:116 E:114 68.0 0.591 T -109.2 41.2 68.0 0.591 0.0
ALA L:116 F:114 70.0 0.609 T -109.2 41.2 70.0 0.609 0.0
ALA M:116 G:114 71.0 0.617 T -109.2 41.2 71.0 0.617 0.0
ALA N:116 H:114 69.0 0.6 T -109.3 41.3 69.0 0.6 0.0
6bnw 2 P68135 100.0 0.0 EM
 2018-01-10 ALA G:116 A:114 62.0 0.539 T -114.3 32.7 62.0 0.539 0.0
ALA H:116 B:114 60.0 0.522 T -114.4 32.7 60.0 0.522 0.0
ALA I:116 C:114 61.0 0.53 T -114.4 32.8 61.0 0.53 0.0
ALA J:116 D:114 62.0 0.539 T -114.3 32.7 62.0 0.539 0.0
ALA K:116 E:114 61.0 0.53 T -114.4 32.7 61.0 0.53 0.0
ALA L:116 F:114 61.0 0.53 T -114.3 32.7 61.0 0.53 0.0
ALA M:116 G:114 61.0 0.53 T -114.4 32.8 61.0 0.53 0.0
ALA N:116 H:114 61.0 0.53 T -114.4 32.7 61.0 0.53 0.0
2w49 5 P68135 100.0 0.0 EM
 2010-05-05 ALA N:114 D:114 63.0 0.548 H -67.0 -30.8 63.0 0.548 0.0
ALA O:114 E:114 63.0 0.548 H -67.2 -30.4 63.0 0.548 0.0
ALA P:114 F:114 64.0 0.557 H -67.0 -30.8 64.0 0.557 0.0
ALA Q:114 G:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA R:114 H:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA S:114 I:114 62.0 0.539 H -67.1 -30.7 62.0 0.539 0.0
ALA T:114 J:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
ALA U:114 K:114 65.0 0.565 H -67.1 -30.6 65.0 0.565 0.0
ALA V:114 L:114 62.0 0.539 H -67.2 -30.6 62.0 0.539 0.0
ALA W:114 M:114 63.0 0.548 H -67.1 -30.7 63.0 0.548 0.0
ALA X:114 N:114 65.0 0.565 H -67.2 -30.6 65.0 0.565 0.0
ALA Y:114 O:114 64.0 0.557 H -67.1 -30.5 64.0 0.557 0.0
ALA Z:114 P:114 63.0 0.548 H -67.2 -30.5 63.0 0.548 0.0
ALA AA:114 Q:114 64.0 0.557 H -67.1 -30.8 64.0 0.557 0.0
ALA BA:114 R:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA CA:114 S:114 63.0 0.548 H -67.3 -30.6 63.0 0.548 0.0
2w4u 5 P68135 100.0 0.0 EM
 2010-08-25 ALA N:114 D:114 65.0 0.565 H -67.0 -30.8 65.0 0.565 0.0
ALA O:114 E:114 64.0 0.557 H -67.3 -30.4 64.0 0.557 0.0
ALA P:114 F:114 63.0 0.548 H -66.9 -30.9 63.0 0.548 0.0
ALA Q:114 G:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA R:114 H:114 64.0 0.557 H -67.2 -30.7 64.0 0.557 0.0
ALA S:114 I:114 63.0 0.548 H -67.1 -30.6 63.0 0.548 0.0
ALA T:114 J:114 63.0 0.548 H -67.2 -30.7 63.0 0.548 0.0
ALA U:114 K:114 64.0 0.557 H -67.1 -30.6 64.0 0.557 0.0
ALA V:114 L:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA W:114 M:114 63.0 0.548 H -67.0 -30.7 63.0 0.548 0.0
ALA X:114 N:114 63.0 0.548 H -67.3 -30.6 63.0 0.548 0.0
ALA Y:114 O:114 66.0 0.574 H -67.1 -30.5 66.0 0.574 0.0
ALA Z:114 P:114 63.0 0.548 H -67.2 -30.6 63.0 0.548 0.0
ALA AA:114 Q:114 63.0 0.548 H -67.0 -30.8 63.0 0.548 0.0
ALA BA:114 R:114 62.0 0.539 H -67.1 -30.6 62.0 0.539 0.0
ALA CA:114 S:114 62.0 0.539 H -67.0 -30.8 62.0 0.539 0.0
1atn 1 P02568 100.0 0.0 X-RAY
 1992-07-15 ALA A:115 A:114 64.0 0.557 H -67.1 -30.7 64.0 0.557 0.0
2gwj 1 P68135 100.0 0.0 X-RAY
 2006-08-29 ALA A:110 A:114 75.0 0.652 H -60.9 -34.0 75.0 0.652 0.0 HOH
 2.620
 O
 O
2gwk 1 P68135 100.0 0.0 X-RAY
 2006-08-29 ALA A:110 A:114 75.0 0.652 H -64.2 -34.1 75.0 0.652 0.0 HOH
 2.650
 O
 O
ALA B:110 B:114 74.0 0.643 H -57.1 -34.2 74.0 0.643 0.0 HOH
 2.639
 O
 O
5zzb 1 P68135 100.0 0.0 X-RAY
 2018-10-10 ALA A:110 B:114 69.0 0.6 H -68.8 -30.1 69.0 0.6 0.0 HOH
 5.303
 N
 O
ALA C:110 D:114 67.0 0.583 H -53.4 -42.3 NA NA NA
7r8v 1 P68139 100.0 0.0 EM
 2021-07-28 ALA A:110 B:114 59.0 0.513 H -61.2 -27.6 58.0 0.504 0.009 D:P68139:0.009
ALA B:110 A:114 60.0 0.522 H -61.2 -27.6 60.0 0.522 0.0
ALA C:110 C:114 61.0 0.53 H -61.3 -27.6 59.0 0.513 0.017 E:P68139:0.017
ALA D:110 D:114 61.0 0.53 H -61.2 -27.6 60.0 0.522 0.008 B:P68139:0.009
ALA E:110 E:114 58.0 0.504 H -61.2 -27.7 58.0 0.504 0.0
1t44 2 P02568 100.0 0.0 X-RAY
 2004-09-07 ALA B:109 A:114 66.0 0.574 H -62.7 -33.1 66.0 0.574 0.0 HOH
 2.799
 O
 O
3w3d 1 P63270 98.66 0.0 X-RAY
 2013-01-30 ALA A:113 A:113 67.0 0.583 H -58.9 -45.8 67.0 0.583 0.0 HOH
 2.716
 N
 O
3m6g 1 P68135 100.0 0.0 X-RAY
 2010-09-08 ALA A:114 A:114 70.0 0.609 H -62.5 -34.9 70.0 0.609 0.0 HOH
 2.745
 N
 O
ALA B:114 B:114 72.0 0.626 H -64.6 -29.4 72.0 0.626 0.0 HOH
 2.731
 O
 O
1lcu 1 P68135 99.46 0.0 X-RAY
 2002-05-01 ALA A:110 A:124 70.0 0.609 H -38.0 -54.0 70.0 0.609 0.0
ALA B:110 B:1124 72.0 0.626 H -48.5 -41.7 72.0 0.626 0.0 HOH
 7.789
 C
 O
5ypu 1 P68135 100.0 0.0 X-RAY
 2018-09-26 ALA A:110 A:114 70.0 0.609 H -58.7 -37.3 70.0 0.609 0.0 HOH
 2.729
 O
 O
ALA C:110 C:114 70.0 0.609 H -57.1 -37.2 NA NA NA
5nog 1 B6VNT8 99.46 0.0 EM
 2017-07-19 ALA A:110 A:114 47.0 0.409 H -70.8 -17.9 33.0 0.287 0.122 E:B6VNT8:0.122
ALA B:110 B:114 58.0 0.504 H -75.3 -5.7 50.0 0.435 0.069 D:B6VNT8:0.07
ALA C:110 C:114 31.0 0.27 S -150.5 -22.6 31.0 0.27 0.0
ALA D:110 D:114 56.0 0.487 H -74.2 -7.2 41.0 0.357 0.13 A:B6VNT8:0.13
ALA E:110 E:114 59.0 0.513 H -75.5 -8.9 46.0 0.4 0.113 C:B6VNT8:0.113
5noj 1 P68137 99.46 0.0 EM
 2017-08-02 ALA A:110 A:114 46.0 0.4 H -79.9 -20.0 45.0 0.391 0.009 B:P68137:0.009
ALA B:110 B:114 44.0 0.383 H -79.8 -20.0 44.0 0.383 0.0
ALA C:110 C:114 46.0 0.4 H -79.9 -20.0 46.0 0.4 0.0
ALA D:110 D:114 46.0 0.4 H -79.9 -20.0 45.0 0.391 0.009 E:P68137:0.009
ALA E:110 E:114 45.0 0.391 H -79.9 -20.0 45.0 0.391 0.0
5nol 1 B6VNT8 99.46 0.0 EM
 2017-07-19 ALA A:110 A:114 46.0 0.4 H -50.7 -29.9 46.0 0.4 0.0
ALA B:110 B:114 48.0 0.417 H -50.6 -29.9 47.0 0.409 0.008 C:B6VNT8:0.009
ALA C:110 C:114 47.0 0.409 H -50.6 -29.9 47.0 0.409 0.0
ALA D:110 D:114 46.0 0.4 H -50.6 -29.9 46.0 0.4 0.0
ALA E:110 E:114 47.0 0.409 H -50.7 -29.9 47.0 0.409 0.0
3b63 5 ? 100.0 0.0 EM
 2008-11-18 ALA E:109 E:109 62.0 0.539 H -68.5 -41.2 41.0 0.357 0.182 D:None:0.183
ALA H:109 H:109 57.0 0.496 H -46.1 -39.9 57.0 0.496 0.0
ALA J:109 J:109 51.0 0.443 H -50.9 -42.9 15.0 0.13 0.313 I:None:0.313
ALA K:109 K:109 58.0 0.504 H -54.4 -39.4 58.0 0.504 0.0
ALA N:109 N:109 58.0 0.504 H -43.6 -41.8 13.0 0.113 0.391 M:None:0.391
3b63 2 ? 99.73 0.0 EM
 2008-11-18 ALA B:108 B:108 66.0 0.574 H -60.9 -42.1 66.0 0.574 0.0
1d4x 1 P10983 93.88 0.0 X-RAY
 2001-05-02 ALA A:114 A:114 68.0 0.591 H -62.5 -34.4 68.0 0.591 0.0 HOH
 2.846
 N
 O
6tf9 17 O93400 94.12 0.0 EM
 2019-12-11 ALA IA:114 jP1:114 68.0 0.591 H -67.5 -32.8 68.0 0.591 0.0
6cxi 1 P63261 93.85 0.0 EM
 2018-10-10 ALA A:114 A:113 59.0 0.513 H -59.4 -40.0 59.0 0.513 0.0
ALA B:114 B:113 64.0 0.557 H -60.0 -40.0 64.0 0.557 0.0
ALA C:114 C:113 63.0 0.548 H -60.2 -40.1 63.0 0.548 0.0
ALA D:114 D:113 62.0 0.539 H -60.2 -40.7 59.0 0.513 0.026 C:P63261:0.026
ALA E:114 E:113 64.0 0.557 H -60.0 -40.1 64.0 0.557 0.0
6cxj 1 P63261 93.85 0.0 EM
 2018-10-10 ALA A:114 A:113 61.0 0.53 H -60.1 -40.0 61.0 0.53 0.0
ALA B:114 B:113 62.0 0.539 H -60.3 -40.9 62.0 0.539 0.0
ALA C:114 C:113 63.0 0.548 H -60.0 -40.0 63.0 0.548 0.0
ALA D:114 D:113 63.0 0.548 H -60.0 -40.0 63.0 0.548 0.0
ALA E:114 E:113 66.0 0.574 H -60.0 -39.9 66.0 0.574 0.0
6g2t 1 P63261 93.85 0.0 EM
 2018-10-17 ALA A:114 A:113 64.0 0.557 H -59.3 -40.0 64.0 0.557 0.0
ALA B:114 B:113 63.0 0.548 H -60.0 -40.2 55.0 0.478 0.07 A:P63261:0.07
ALA C:114 C:113 61.0 0.53 H -60.0 -40.0 60.0 0.522 0.008 B:P63261:0.009
ALA D:114 D:113 62.0 0.539 H -60.0 -40.6 56.0 0.487 0.052 C:P63261:0.052
ALA E:114 E:113 65.0 0.565 H -60.0 -40.4 64.0 0.557 0.008 D:P63261:0.009
ALA F:114 F:113 63.0 0.548 H -60.0 -40.1 55.0 0.478 0.07 E:P63261:0.07
5jlh 1 P63261 93.85 0.0 EM
 2016-06-15 ALA A:113 A:113 60.0 0.522 H -52.7 -37.7 59.0 0.513 0.009 E:P63261:0.009
ALA B:113 B:113 60.0 0.522 H -52.4 -37.9 59.0 0.513 0.009 D:P63261:0.009
ALA C:113 C:113 60.0 0.522 H -51.2 -39.5 60.0 0.522 0.0
ALA D:113 D:113 60.0 0.522 H -52.8 -37.0 60.0 0.522 0.0
ALA E:113 E:113 61.0 0.53 H -53.3 -37.6 60.0 0.522 0.008 C:P63261:0.009
4rwt 1 P10987 93.37 0.0 X-RAY
 2015-10-14 ALA A:115 A:114 71.0 0.617 H -55.0 -50.9 33.0 0.287 0.33 C:Q6P5Q4:0.33
ALA D:115 B:114 68.0 0.591 H -52.2 -52.0 NA NA NA
5wfn 1 P10987 93.37 0.0 X-RAY
 2017-08-30 ALA A:115 A:114 68.0 0.591 H -58.9 -42.8 24.0 0.209 0.382 B:Q6P5Q4:0.383
ALA C:115 B:114 68.0 0.591 H -59.0 -42.7 NA NA NA
3byh 1 Q1KLZ0 93.58 0.0 EM
 2008-02-19 ALA A:113 A:114 68.0 0.591 H -68.2 -20.3 46.0 0.4 0.191 A:Q1KLZ0:0.191
3j0s 1 P60706 93.58 0.0 EM
 2011-12-21 ALA A:113 A:114 76.0 0.661 H -60.0 -41.3 76.0 0.661 0.0
ALA B:113 B:114 77.0 0.67 H -60.0 -41.3 75.0 0.652 0.018 A:P60706:0.017
ALA C:113 C:114 74.0 0.643 H -60.0 -41.4 72.0 0.626 0.017 B:P60706:0.017
ALA D:113 D:114 75.0 0.652 H -60.1 -41.3 73.0 0.635 0.017 C:P60706:0.017
ALA E:113 E:114 75.0 0.652 H -60.0 -41.4 73.0 0.635 0.017 D:P60706:0.017
ALA F:113 F:114 76.0 0.661 H -60.0 -41.3 74.0 0.643 0.018 E:P60706:0.017
ALA G:113 G:114 76.0 0.661 H -59.9 -41.4 74.0 0.643 0.018 F:P60706:0.017
ALA H:113 H:114 76.0 0.661 H -60.0 -41.4 75.0 0.652 0.009 G:P60706:0.009
ALA I:113 I:114 76.0 0.661 H -60.0 -41.3 74.0 0.643 0.018 H:P60706:0.017
ALA J:113 J:114 76.0 0.661 H -59.9 -41.4 74.0 0.643 0.018 I:P60706:0.017
ALA K:113 K:114 76.0 0.661 H -59.9 -41.4 74.0 0.643 0.018 J:P60706:0.017
ALA L:113 L:114 74.0 0.643 H -60.0 -41.3 72.0 0.626 0.017 K:P60706:0.017
3j82 2 P60709 93.58 0.0 EM
 2015-05-20 ALA B:113 B:114 75.0 0.652 H -60.0 -44.3 33.0 0.287 0.365 A:Q8BRU4:0.365
ALA C:113 C:114 66.0 0.574 H -61.4 -46.4 66.0 0.574 0.0
ALA D:113 D:114 65.0 0.565 H -63.2 -44.7 65.0 0.565 0.0
3lue 1 P60709 93.58 0.0 EM
 2010-04-28 ALA A:113 A:114 68.0 0.591 H -68.3 -20.3 68.0 0.591 0.0
ALA B:113 B:114 66.0 0.574 H -68.2 -20.4 66.0 0.574 0.0
ALA C:113 C:114 66.0 0.574 H -68.2 -20.4 66.0 0.574 0.0
ALA D:113 D:114 69.0 0.6 H -68.2 -20.3 69.0 0.6 0.0
ALA E:113 E:114 67.0 0.583 H -68.2 -20.4 67.0 0.583 0.0
ALA F:113 F:114 66.0 0.574 H -68.2 -20.4 66.0 0.574 0.0
ALA G:113 G:114 65.0 0.565 H -68.2 -20.4 65.0 0.565 0.0
ALA H:113 H:114 68.0 0.591 H -68.2 -20.4 68.0 0.591 0.0
ALA I:113 I:114 68.0 0.591 H -68.2 -20.3 68.0 0.591 0.0
ALA J:113 J:114 65.0 0.565 H -68.2 -20.4 65.0 0.565 0.0
3ub5 1 P60712 93.58 0.0 X-RAY
 2012-04-25 ALA A:113 A:114 66.0 0.574 H -53.3 -43.0 66.0 0.574 0.0 HOH
 7.007
 C
 O
6nbw 1 P60709 93.58 0.0 X-RAY
 2020-01-29 ALA A:113 A:114 70.0 0.609 H -64.9 -28.6 70.0 0.609 0.0 HOH
 3.869
 HB3
 O
1hlu 1 P60712 93.58 0.0 X-RAY
 1997-10-15 ALA A:114 A:114 63.0 0.548 H -56.0 -35.7 63.0 0.548 0.0
2btf 1 P60712 93.58 0.0 X-RAY
 1994-06-22 ALA A:114 A:114 66.0 0.574 H -68.3 -20.3 66.0 0.574 0.0
2oan 1 P60712 93.58 0.0 X-RAY
 2007-05-01 ALA A:114 A:114 67.0 0.583 H -53.3 -42.1 NA NA NA
ALA B:114 B:114 66.0 0.574 H -54.7 -39.9 66.0 0.574 0.0 HOH
 8.941
 N
 O
ALA C:114 C:114 68.0 0.591 H -51.6 -42.5 NA NA NA
ALA D:114 D:114 68.0 0.591 H -48.7 -44.0 68.0 0.591 0.0 HOH
 4.769
 N
 O
3u4l 1 P60712 93.58 0.0 X-RAY
 2012-04-25 ALA A:114 A:114 68.0 0.591 H -57.9 -29.0 68.0 0.591 0.0 HOH
 9.614
 N
 O
6anu 1 P60709 93.58 0.0 EM
 2017-11-22 ALA A:114 F:114 47.0 0.409 H -69.1 -29.9 47.0 0.409 0.0
ALA B:114 A:114 47.0 0.409 H -69.0 -30.0 47.0 0.409 0.0
ALA C:114 B:114 47.0 0.409 H -69.1 -30.0 47.0 0.409 0.0
ALA D:114 C:114 46.0 0.4 H -69.1 -30.0 46.0 0.4 0.0
ALA E:114 D:114 47.0 0.409 H -69.0 -30.0 47.0 0.409 0.0
ALA F:114 E:114 47.0 0.409 H -69.0 -30.0 47.0 0.409 0.0
6f1t 2 Q6QAQ1 93.58 0.0 EM
 2018-01-17 ALA H:114 H:114 69.0 0.6 H -63.1 -37.2 64.0 0.557 0.043 G:F2Z5G5:0.043
6f38 2 Q6QAQ1 93.58 0.0 EM
 2018-01-17 ALA H:114 H:114 73.0 0.635 H -64.9 -29.1 73.0 0.635 0.0
6f3a 2 Q6QAQ1 93.58 0.0 EM
 2018-01-17 ALA H:114 H:114 76.0 0.661 H -60.7 -30.7 76.0 0.661 0.0
6ltj 7 P60709 93.58 0.0 EM
 2020-02-12 ALA K:114 K:114 50.0 0.435 H -68.2 -35.1 48.0 0.417 0.018 J:O96019:0.017
6znl 2 Q6QAQ1 93.58 0.0 EM
 2020-07-29 ALA H:114 H:114 71.0 0.617 H -59.5 -32.8 66.0 0.574 0.043 G:F2Z5G5:0.043
6znm 2 Q6QAQ1 93.58 0.0 EM
 2020-07-29 ALA B:114 H:114 72.0 0.626 H -59.5 -32.7 66.0 0.574 0.052 A:F2Z5G5:0.052
6znn 2 Q6QAQ1 93.58 0.0 EM
 2020-07-29 ALA B:114 H:114 70.0 0.609 H -59.5 -32.8 64.0 0.557 0.052 A:F2Z5G5:0.052
6zno 2 Q6QAQ1 93.58 0.0 EM
 2020-07-29 ALA B:114 H:114 71.0 0.617 H -59.5 -32.8 65.0 0.565 0.052 A:F2Z5G5:0.052
6zo4 3 Q6QAQ1 93.58 0.0 EM
 2020-07-29 ALA D:114 H:114 70.0 0.609 H -59.4 -32.8 65.0 0.565 0.044 C:F2Z5G5:0.043
7pdz 3 P60712 93.58 0.0 EM
 2021-09-01 ALA C:114 I:114 60.0 0.522 H -57.2 -33.1 60.0 0.522 0.0
ALA D:114 J:114 49.0 0.426 H -60.9 -32.5 49.0 0.426 0.0
ALA E:114 K:114 57.0 0.496 H -60.2 -28.4 55.0 0.478 0.018 D:P60712:0.017
ALA F:114 L:114 48.0 0.417 H -58.8 -33.2 48.0 0.417 0.0
ALA G:114 N:114 45.0 0.391 H -57.0 -29.8 45.0 0.391 0.0
ALA H:114 O:114 50.0 0.435 H -58.6 -34.1 48.0 0.417 0.018 L:None:0.009
G:P60712:0.009
7qj5 2 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA C:114 e:114 76.0 0.661 H -69.6 -31.8 76.0 0.661 0.0
7qj6 1 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA A:114 e:114 48.0 0.417 H -63.6 -35.4 48.0 0.417 0.0
7qj7 2 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA B:114 e:114 72.0 0.626 H -71.6 -36.8 72.0 0.626 0.0
7qj8 3 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA D:114 e:114 76.0 0.661 H -70.0 -33.0 76.0 0.661 0.0
7qj9 2 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA B:114 e:114 67.0 0.583 H -65.5 -30.8 67.0 0.583 0.0
7qja 1 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA A:114 e:114 72.0 0.626 H -68.4 -39.6 72.0 0.626 0.0
7qjb 2 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA C:114 e:114 64.0 0.557 H -71.0 -32.3 64.0 0.557 0.0
7qjc 1 A0A6I9HGD1 93.58 0.0 EM
 2022-01-26 ALA A:114 e:114 78.0 0.678 H -69.1 -35.0 78.0 0.678 0.0
5nw4 11 I3LVD5 93.58 0.0 EM
 2017-08-02 ALA R:135 V:114 60.0 0.522 H -68.2 -26.5 51.0 0.443 0.079 Q:F2Z5G5:0.078
4jhd 2 P10987 93.37 0.0 X-RAY
 2013-06-19 ALA B:123 B:114 65.0 0.565 H -53.6 -53.4 65.0 0.565 0.0 HOH
 7.088
 C
 O
ALA E:123 E:114 61.0 0.53 H -62.5 -52.8 NA NA NA
4jhd 1 P10987 93.37 0.0 X-RAY
 2013-06-19 ALA A:123 A:114 66.0 0.574 H -51.3 -52.6 66.0 0.574 0.0 HOH
 4.556
 CB
 O
ALA D:123 D:114 65.0 0.565 H -48.3 -50.7 NA NA NA
7p1h 2 P60709 94.09 0.0 EM
 2021-11-17 ALA B:111 B:114 61.0 0.53 H -62.7 -28.8 61.0 0.53 0.0
5adx 2 Q6QAQ1 94.58 0.0 EM
 2015-12-30 ALA H:109 H:114 59.0 0.513 H -68.2 -26.5 51.0 0.443 0.07 G:F2Z5G5:0.07
5afu 6 Q6QAQ1 94.58 0.0 EM
 2015-03-11 ALA N:109 H:114 59.0 0.513 H -68.2 -26.5 51.0 0.443 0.07 M:F2Z5G5:0.07
3eks 1 P10987 93.35 0.0 X-RAY
 2008-10-07 ALA A:114 A:114 68.0 0.591 H -58.7 -30.0 68.0 0.591 0.0 HOH
 2.930
 N
 O
3eku 1 P10987 93.35 0.0 X-RAY
 2008-10-07 ALA A:114 A:114 56.0 0.487 H -63.7 -34.2 56.0 0.487 0.0 HOH
 7.619
 C
 O
3el2 1 P10987 93.35 0.0 X-RAY
 2008-10-07 ALA A:114 A:114 62.0 0.539 H -76.9 -38.1 62.0 0.539 0.0 HOH
 3.247
 N
 O
4m63 2 P10987 93.37 0.0 X-RAY
 2013-10-23 ALA C:116 C:114 60.0 0.522 H -67.4 -37.1 3.0 0.026 0.496 D:P10987:0.009
A:L0I5A1:0.487
ALA D:116 D:114 64.0 0.557 H -64.5 -38.2 2.0 0.017 0.54 E:P10987:0.07
B:L0I5A1:0.513
ALA E:116 E:114 68.0 0.591 H -59.5 -44.5 68.0 0.591 0.0
3b63 4 ? 99.72 0.0 EM
 2008-11-18 ALA D:107 D:107 74.0 0.643 H -59.8 -32.2 74.0 0.643 0.0
3b63 6 ? 99.72 0.0 EM
 2008-11-18 ALA F:109 F:109 63.0 0.548 H -57.8 -39.2 63.0 0.548 0.0
3mn5 1 P68135 95.73 0.0 X-RAY
 2010-06-02 ALA A:98 A:114 64.0 0.557 H -64.9 -32.9 64.0 0.557 0.0 HOH
 2.820
 O
 O
2hf3 1 P10987 93.05 0.0 X-RAY
 2006-08-29 ALA A:113 A:114 67.0 0.583 H -59.9 -34.3 67.0 0.583 0.0 HOH
 2.963
 N
 O
2hf4 1 P10987 93.05 0.0 X-RAY
 2006-08-29 ALA A:113 A:114 61.0 0.53 H -58.3 -36.3 61.0 0.53 0.0 HOH
 2.872
 N
 O
3mmv 1 P10987 93.05 0.0 X-RAY
 2010-06-02 ALA A:113 A:114 60.0 0.522 H -66.7 -38.3 60.0 0.522 0.0 HOH
 4.573
 N
 O
3mn6 1 P10987 93.05 0.0 X-RAY
 2010-06-02 ALA A:113 A:114 71.0 0.617 H -60.1 -34.9 71.0 0.617 0.0 HOH
 3.110
 N
 O
ALA B:113 F:114 72.0 0.626 H -58.4 -35.1 NA NA NA
ALA C:113 K:114 67.0 0.583 H -63.7 -30.3 NA NA NA
3mn7 1 P10987 93.05 0.0 X-RAY
 2010-05-26 ALA A:113 A:114 63.0 0.548 H -65.1 -42.3 63.0 0.548 0.0 HOH
 7.100
 C
 O
3mn9 1 P10987 93.05 0.0 X-RAY
 2010-05-26 ALA A:113 A:114 63.0 0.548 H -61.2 -39.9 63.0 0.548 0.0 HOH
 2.943
 N
 O
6v6s 7 ? 93.05 0.0 EM
 2020-01-01 ALA T:113 U:114 79.0 0.687 H -59.8 -34.3 79.0 0.687 0.0
7as4 5 P60709 93.05 0.0 EM
 2021-01-20 ALA G:113 7:114 77.0 0.67 H -67.9 -33.1 77.0 0.67 0.0
4ci6 1 G3CKA6 92.04 0.0 X-RAY
 2015-01-28 ALA A:115 A:114 75.0 0.652 H -65.2 -37.0 75.0 0.652 0.0
5ce3 1 G3CKA6 92.04 0.0 X-RAY
 2016-07-06 ALA A:115 A:114 71.0 0.617 H -58.6 -41.4 71.0 0.617 0.0
ALA C:115 C:114 71.0 0.617 H -58.1 -41.5 NA NA NA
4efh 1 P02578 92.76 0.0 X-RAY
 2012-04-11 ALA A:114 A:114 54.0 0.47 H -66.6 -36.1 54.0 0.47 0.0 HOH
 7.293
 C
 O
1nlv 1 P02577 91.2 0.0 X-RAY
 2003-01-21 ALA A:114 A:114 65.0 0.565 H -58.2 -39.9 65.0 0.565 0.0 HOH
 2.936
 N
 O
1nm1 1 P02577 91.2 0.0 X-RAY
 2003-01-21 ALA A:114 A:114 67.0 0.583 H -58.5 -41.2 67.0 0.583 0.0 HOH
 2.804
 O
 O
1nmd 1 P02577 91.2 0.0 X-RAY
 2003-02-04 ALA A:114 A:114 67.0 0.583 H -59.7 -42.1 67.0 0.583 0.0 HOH
 2.885
 N
 O
3b63 7 ? 94.51 0.0 EM
 2008-11-18 ALA L:109 L:109 64.0 0.557 H -69.0 -11.9 16.0 0.139 0.418 K:None:0.417
ALA M:109 M:109 62.0 0.539 H -55.6 -13.8 27.0 0.235 0.304 L:None:0.304
3chw 1 P07830 90.93 0.0 X-RAY
 2008-08-19 ALA A:114 A:114 66.0 0.574 H -67.1 -34.6 66.0 0.574 0.0 HOH
 2.949
 O
 O
3ci5 1 P07830 90.93 0.0 X-RAY
 2008-08-19 ALA A:114 A:114 55.0 0.478 H -59.7 -34.9 55.0 0.478 0.0 SO4
HOH
 4.772
2.794
 N
O
 O2
O
3cip 1 P07830 90.93 0.0 X-RAY
 2008-08-19 ALA A:114 A:114 67.0 0.583 H -62.0 -34.6 67.0 0.583 0.0 GOL
HOH
 5.120
2.875
 N
O
 O2
O
7ju4 17 P53498 89.66 0.0 EM
 2020-12-16 ALA DB:116 u:116 74.0 0.643 H -62.8 -44.7 74.0 0.643 0.0
1c0g 2 P07830 90.4 0.0 X-RAY
 2000-03-01 ALA B:114 A:114 70.0 0.609 H -65.7 -32.9 70.0 0.609 0.0 HOH
 2.913
 N
 O
1dej 2 P07830 89.87 0.0 X-RAY
 2000-03-01 ALA B:114 A:114 70.0 0.609 H -69.7 -28.0 70.0 0.609 0.0 HOH
 3.139
 N
 O
3a5l 2 P07830 89.87 0.0 X-RAY
 2010-10-27 ALA B:114 C:114 70.0 0.609 H -64.5 -33.5 70.0 0.609 0.0 HOH
 2.753
 O
 O
3a5n 2 P07830 89.87 0.0 X-RAY
 2010-10-27 ALA B:114 C:114 69.0 0.6 H -60.7 -36.3 69.0 0.6 0.0 HOH
 2.752
 N
 O
3a5m 2 P07830 89.87 0.0 X-RAY
 2010-10-27 ALA B:114 C:114 68.0 0.591 H -60.3 -42.0 68.0 0.591 0.0 HOH
 2.672
 O
 O
3a5o 2 P07830 89.87 0.0 X-RAY
 2010-10-27 ALA B:114 C:114 71.0 0.617 H -62.1 -38.2 71.0 0.617 0.0 HOH
 2.813
 N
 O
6iug 1 B6TQ08 89.95 0.0 EM
 2019-11-06 ALA A:110 A:116 46.0 0.4 H -65.2 -32.3 46.0 0.4 0.0
ALA B:110 B:116 49.0 0.426 H -65.2 -32.4 49.0 0.426 0.0
ALA C:110 C:116 50.0 0.435 H -65.2 -32.3 50.0 0.435 0.0
ALA D:110 D:116 47.0 0.409 H -65.2 -32.3 47.0 0.409 0.0
ALA E:110 E:116 48.0 0.417 H -65.2 -32.3 48.0 0.417 0.0
1c0f 2 P07830 89.07 0.0 X-RAY
 2000-03-01 ALA B:107 A:114 68.0 0.591 H -61.7 -35.6 68.0 0.591 0.0 HOH
 3.043
 O
 O
1yag 1 P60010 86.9 0.0 X-RAY
 1999-10-09 SER A:114 A:114 83.0 0.722 H -65.1 -40.6 83.0 0.722 0.0 HOH
 2.878
 OG
 O
5i9e 2 P60011 86.9 0.0 X-RAY
 2016-07-27 SER B:114 B:114 84.0 0.73 H -70.9 -35.0 83.0 0.722 0.008 A:P80428:0.009
SER D:114 D:114 82.0 0.713 H -71.0 -36.0 NA NA NA
5nbl 2 P60010 86.9 0.0 X-RAY
 2018-08-22 SER C:114 C:114 80.0 0.696 H -57.0 -36.1 NA NA NA
SER D:114 D:114 76.0 0.661 H -56.7 -36.2 76.0 0.661 0.0 HOH
 7.297
 C
 O
5nbm 2 P60010 86.9 0.0 X-RAY
 2018-08-22 SER C:114 C:114 80.0 0.696 H -56.4 -34.1 NA NA NA
SER D:114 D:114 79.0 0.687 H -56.4 -33.9 79.0 0.687 0.0
5nbn 2 P60010 86.9 0.0 X-RAY
 2018-08-22 SER C:114 C:114 75.0 0.652 H -57.6 -44.0 NA NA NA
SER D:114 D:114 82.0 0.713 H -57.6 -42.7 77.0 0.67 0.043 A:P80428:0.043
5y81 7 P60010 86.9 0.0 EM
 2018-04-18 SER G:114 G:114 85.0 0.739 H -43.9 -45.3 76.0 0.661 0.078 F:P80428:0.078
1yvn 1 P60010 86.63 0.0 X-RAY
 2000-03-23 SER A:114 A:114 75.0 0.652 H -75.4 -39.0 75.0 0.652 0.0 HOH
 3.111
 O
 O
3b63 3 ? 87.91 0.0 EM
 2008-11-18 SER C:109 C:109 84.0 0.73 H -60.1 -40.5 84.0 0.73 0.0
SER I:109 I:109 70.0 0.609 H -53.3 -43.1 70.0 0.609 0.0
3b63 1 ? 87.64 0.0 EM
 2008-11-18 SER A:109 A:109 76.0 0.661 H -66.8 -48.6 76.0 0.661 0.0
SER G:109 G:109 77.0 0.67 H -58.4 -37.3 76.0 0.661 0.009 F:None:0.009
4cbw 1 Q4Z1L3 83.96 0.0 X-RAY
 2014-04-30 GLY A:116 A:115 42.0 0.56 H -70.4 -36.2 42.0 0.56 0.0 HOH
 9.599
 C
 O
4pl7 1 Q9P4D1,P62328 82.93 0.0 X-RAY
 2014-10-22 SER A:114 A:114 78.0 0.678 H -53.0 -42.6 78.0 0.678 0.0 HOH
 5.022
 N
 O
SER B:114 B:114 80.0 0.696 H -54.4 -41.3 NA NA NA
6i4k 1 Q8I4X0 81.82 0.0 X-RAY
 2019-06-26 ALA A:117 A:115 64.0 0.557 H -61.1 -37.8 64.0 0.557 0.0 HOH
 2.688
 O
 O
6i4l 1 Q8I4X0 81.82 0.0 X-RAY
 2019-06-26 ALA A:117 A:115 64.0 0.557 H -60.5 -37.7 64.0 0.557 0.0 HOH
 2.846
 HA
 O
6i4h 1 Q8I4X0 81.82 0.0 X-RAY
 2019-06-26 GLY A:117 A:115 44.0 0.587 H -60.9 -33.4 44.0 0.587 0.0 HOH
 2.776
 O
 O
6i4i 1 Q8I4X0 81.82 0.0 X-RAY
 2019-06-26 GLY A:117 A:115 45.0 0.6 H -64.4 -36.2 45.0 0.6 0.0 HOH
 2.726
 HA3
 O
6i4j 1 Q8I4X0 81.82 0.0 X-RAY
 2019-06-26 GLY A:117 A:115 47.0 0.627 H -66.4 -33.4 47.0 0.627 0.0 HOH
 2.660
 O
 O
7aln 1 Q8I4X0 81.55 0.0 EM
 2021-04-28 GLY A:115 A:115 41.0 0.547 H -67.3 -24.9 41.0 0.547 0.0 9UE
 4.079
 CA
 O5
GLY B:115 B:115 41.0 0.547 H -67.3 -25.0 41.0 0.547 0.0
GLY C:115 C:115 40.0 0.533 H -67.3 -24.9 40.0 0.533 0.0
GLY D:115 D:115 42.0 0.56 H -67.3 -25.0 42.0 0.56 0.0 9UE
 3.626
 CA
 O5
GLY E:115 E:115 41.0 0.547 H -67.2 -25.0 40.0 0.533 0.014 C:Q8I4X0:0.013
 9UE
 4.200
 CA
 O5
4cbu 1 P86287 81.55 0.0 X-RAY
 2014-04-30 GLY A:117 A:115 48.0 0.64 H -62.7 -31.5 48.0 0.64 0.0 HOH
 2.731
 O
 O
5mvv 1 Q8I4X0 81.55 0.0 X-RAY
 2017-07-12 GLY A:117 A:115 46.0 0.613 H -62.6 -36.6 46.0 0.613 0.0 HOH
 2.755
 O
 O
5ogw 1 P86287 81.55 0.0 EM
 2017-09-27 GLY A:117 A:117 39.0 0.52 H -49.4 -41.2 39.0 0.52 0.0 9UE
 3.702
 CA
 O5
GLY B:117 B:117 39.0 0.52 H -49.2 -41.6 39.0 0.52 0.0
GLY C:117 C:117 40.0 0.533 H -48.9 -41.7 40.0 0.533 0.0
GLY D:117 D:117 39.0 0.52 H -49.2 -41.4 39.0 0.52 0.0 9UE
 3.699
 CA
 O5
GLY E:117 E:117 39.0 0.52 H -49.3 -41.4 39.0 0.52 0.0 9UE
 3.698
 CA
 O5
6i4d 1 Q8I4X0 81.55 0.0 X-RAY
 2019-06-26 GLY A:117 A:115 43.0 0.573 H -63.5 -34.9 43.0 0.573 0.0 HOH
 2.566
 HA3
 O
6i4e 1 Q8I4X0 81.55 0.0 X-RAY
 2019-06-26 GLY A:117 A:115 47.0 0.627 H -62.5 -32.5 47.0 0.627 0.0 HOH
 2.753
 O
 O
6tu4 1 Q8I4X0 81.55 0.0 EM
 2021-01-13 GLY A:117 A:115 44.0 0.587 H -56.1 -30.0 44.0 0.587 0.0 9UE
HOH
 4.790
8.956
 CA
C
 O5
O
GLY B:117 B:115 45.0 0.6 H -57.0 -30.3 44.0 0.587 0.013 C:Q8I4X0:0.013
 9UE
HOH
 4.891
9.046
 CA
C
 O5
O
GLY C:117 C:115 40.0 0.533 H -57.4 -29.9 40.0 0.533 0.0 HOH
 9.088
 C
 O
GLY D:117 D:115 40.0 0.533 H -60.4 -28.5 40.0 0.533 0.0 9UE
 4.645
 CA
 O5
GLY E:117 F:115 43.0 0.573 H -58.4 -30.7 43.0 0.573 0.0 9UE
HOH
 4.757
8.861
 CA
C
 O5
O
6tu7 2 Q8I4X0 81.55 0.0 EM
 2021-01-13 GLY B:117 BP1:115 48.0 0.64 H -55.1 -27.8 48.0 0.64 0.0 9UE
 4.507
 CA
 O5
GLY C:117 CP1:115 49.0 0.653 H -55.2 -27.8 48.0 0.64 0.013 B:Q8I4X0:0.013
 9UE
 4.511
 CA
 O5
GLY D:117 DP1:115 46.0 0.613 H -55.1 -27.8 46.0 0.613 0.0 9UE
 4.547
 CA
 O5
GLY E:117 EP1:115 46.0 0.613 H -55.1 -27.9 46.0 0.613 0.0
6i4f 1 Q8I4X0 81.55 0.0 X-RAY
 2019-06-26 GLY A:117 A:115 46.0 0.613 H -62.2 -32.4 46.0 0.613 0.0 HOH
 2.716
 O
 O
6i4g 1 Q8I4X0 81.28 0.0 X-RAY
 2019-06-26 GLY A:117 A:115 44.0 0.587 H -63.3 -25.0 44.0 0.587 0.0 HOH
 2.386
 HA3
 O
GLY B:117 B:115 45.0 0.6 H -63.3 -25.7 NA NA NA

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-p68133-f1 1 P68133 100.0 0.0 ALA A:116 A:116 64.0 0.557 H -60.2 -34.1
af-p68032-f1 1 P68032 98.94 0.0 ALA A:116 A:116 65.0 0.565 H -61.1 -33.9
af-p62736-f1 1 P62736 97.88 0.0 ALA A:116 A:116 65.0 0.565 H -60.3 -34.1
af-p63267-f1 1 P63267 98.14 0.0 ALA A:115 A:115 65.0 0.565 H -60.3 -34.2
af-p63261-f1 1 P63261 93.85 0.0 ALA A:114 A:114 62.0 0.539 H -60.8 -34.3
af-p60709-f1 1 P60709 93.58 0.0 ALA A:114 A:114 65.0 0.565 H -60.0 -34.5
af-q562r1-f1 1 Q562R1 87.7 0.0 ILE A:115 A:115 112.0 0.64 H -61.1 -32.8
af-q9byx7-f1 1 Q9BYX7 86.63 0.0 ALA A:114 A:114 62.0 0.539 H -61.1 -35.6
af-q6s8j3-f1 1 Q6S8J3 87.17 0.0 ALA A:814 A:814 63.0 0.548 H -61.1 -33.1
af-p0cg38-f1 1 P0CG38 86.36 0.0 ALA A:814 A:814 62.0 0.539 H -60.0 -30.2
af-a5a3e0-f1 1 A5A3E0 86.36 0.0 ALA A:814 A:814 62.0 0.539 H -59.6 -29.1
af-p0cg39-f1 1 P0CG39 85.83 0.0 ALA A:777 A:777 62.0 0.539 H -60.4 -29.8