| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
216 |
55 |
10720 |
◊ |
A |
x,y,z |
1_555 |
217 |
56 |
10549 |
1874.9 |
-17.8 |
0.198 |
14 |
0 |
0 |
0.324 |
2 |
|
F |
215 |
55 |
10350 |
◊ |
E |
x,y,z |
1_555 |
215 |
56 |
10980 |
1865.0 |
-17.8 |
0.194 |
13 |
0 |
0 |
0.324 |
3 |
|
D |
207 |
54 |
10397 |
◊ |
C |
x,y,z |
1_555 |
210 |
55 |
10578 |
1856.6 |
-17.6 |
0.164 |
14 |
0 |
0 |
0.324 |
| Average: |
1865.5 |
-17.8 |
0.185 |
14 |
0 |
0 |
0.324 |
| 2 |
4 |
|
E |
102 |
33 |
10980 |
◊ |
D |
x,y,z |
1_555 |
99 |
33 |
10397 |
1001.7 |
-24.1 |
0.000 |
2 |
0 |
0 |
0.368 |
5 |
|
C |
100 |
33 |
10578 |
◊ |
A |
x,y,z |
1_555 |
99 |
33 |
10549 |
1001.6 |
-24.2 |
0.000 |
2 |
0 |
0 |
0.368 |
6 |
|
F |
99 |
33 |
10350 |
◊ |
B |
x,y,z |
1_555 |
100 |
33 |
10720 |
996.0 |
-23.4 |
0.001 |
2 |
0 |
0 |
0.368 |
| Average: |
999.8 |
-23.9 |
0.000 |
2 |
0 |
0 |
0.368 |
| 3 |
7 |
|
D |
31 |
9 |
10397 |
x |
D |
-y+2,x-y-1,z-1/3 |
2_744 |
37 |
10 |
10397 |
255.8 |
0.2 |
0.704 |
3 |
0 |
0 |
0.000 |
| 4 |
8 |
|
B |
34 |
10 |
10720 |
x |
B |
-y+1,x-y-1,z-1/3 |
2_644 |
30 |
9 |
10720 |
247.8 |
0.3 |
0.685 |
4 |
0 |
0 |
0.000 |
| 5 |
9 |
|
D |
17 |
4 |
10397 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
10549 |
199.3 |
1.9 |
0.769 |
4 |
0 |
0 |
0.003 |
10 |
|
C |
23 |
8 |
10578 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
10720 |
198.0 |
1.8 |
0.738 |
5 |
0 |
0 |
0.003 |
11 |
|
F |
16 |
4 |
10350 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
10397 |
197.3 |
1.9 |
0.763 |
4 |
0 |
0 |
0.003 |
12 |
|
E |
24 |
8 |
10980 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
10578 |
196.0 |
1.5 |
0.751 |
3 |
0 |
0 |
0.003 |
13 |
|
E |
16 |
4 |
10980 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
10720 |
194.2 |
1.5 |
0.737 |
6 |
0 |
0 |
0.003 |
14 |
|
F |
23 |
8 |
10350 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
10549 |
192.1 |
1.5 |
0.745 |
3 |
0 |
0 |
0.003 |
| Average: |
196.1 |
1.7 |
0.751 |
4 |
0 |
0 |
0.003 |
| 6 |
15 |
|
F |
16 |
6 |
10350 |
◊ |
A |
x,y-1,z |
1_545 |
21 |
8 |
10549 |
161.4 |
1.7 |
0.743 |
2 |
1 |
0 |
0.000 |
| 7 |
16 |
|
A |
15 |
5 |
10549 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
10397 |
143.5 |
1.3 |
0.820 |
1 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[URF]D:254 |
9 |
1 |
251 |
f |
D |
x,y,z |
1_555 |
25 |
12 |
10397 |
136.8 |
2.2 |
0.498 |
3 |
0 |
0 |
0.016 |
18 |
|
[URF]F:254 |
9 |
1 |
251 |
f |
F |
x,y,z |
1_555 |
28 |
12 |
10350 |
136.7 |
2.1 |
0.505 |
3 |
0 |
0 |
0.016 |
19 |
|
[URF]B:254 |
9 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
10720 |
136.5 |
2.1 |
0.489 |
3 |
0 |
0 |
0.016 |
20 |
|
[URF]C:254 |
9 |
1 |
253 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
10578 |
135.8 |
1.0 |
0.337 |
4 |
0 |
0 |
0.016 |
21 |
|
[URF]E:254 |
9 |
1 |
249 |
f |
E |
x,y,z |
1_555 |
25 |
12 |
10980 |
134.4 |
1.0 |
0.346 |
3 |
0 |
0 |
0.016 |
22 |
|
[URF]A:254 |
9 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
10549 |
133.5 |
1.0 |
0.360 |
3 |
0 |
0 |
0.016 |
| Average: |
135.6 |
1.5 |
0.423 |
3 |
0 |
0 |
0.016 |
| 9 |
23 |
|
C |
16 |
5 |
10578 |
◊ |
F |
-y+1,x-y-1,z-1/3 |
2_644 |
14 |
6 |
10350 |
135.9 |
0.0 |
0.643 |
1 |
0 |
0 |
0.000 |
| 10 |
24 |
|
[R2B]F:256 |
9 |
1 |
264 |
f |
F |
x,y,z |
1_555 |
23 |
9 |
10350 |
115.3 |
-1.0 |
0.446 |
5 |
0 |
0 |
0.102 |
25 |
|
[R2B]D:256 |
9 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
10397 |
115.1 |
-1.0 |
0.449 |
5 |
0 |
0 |
0.102 |
26 |
|
[R2B]E:256 |
9 |
1 |
263 |
f |
E |
x,y,z |
1_555 |
24 |
10 |
10980 |
114.8 |
-1.1 |
0.432 |
5 |
0 |
0 |
0.102 |
27 |
|
[R2B]A:256 |
9 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
10549 |
114.5 |
-1.0 |
0.449 |
6 |
0 |
0 |
0.102 |
28 |
|
[R2B]C:256 |
9 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
10578 |
113.7 |
-1.0 |
0.437 |
5 |
0 |
0 |
0.102 |
29 |
|
[R2B]B:256 |
9 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
10720 |
111.8 |
-0.9 |
0.446 |
6 |
0 |
0 |
0.102 |
| Average: |
114.2 |
-1.0 |
0.443 |
5 |
0 |
0 |
0.102 |
| 11 |
30 |
|
E |
17 |
7 |
10980 |
◊ |
C |
x,y-1,z |
1_545 |
16 |
5 |
10578 |
113.5 |
-1.1 |
0.450 |
0 |
0 |
0 |
0.000 |
| 12 |
31 |
|
[SO4]D:255 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
10397 |
81.0 |
-11.9 |
0.834 |
7 |
0 |
0 |
0.452 |
32 |
|
[SO4]E:255 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
10980 |
80.3 |
-12.8 |
0.742 |
7 |
0 |
0 |
0.452 |
33 |
|
[SO4]C:255 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
10578 |
78.7 |
-11.7 |
0.836 |
6 |
0 |
0 |
0.452 |
34 |
|
[SO4]B:255 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
10720 |
77.7 |
-11.6 |
0.832 |
7 |
0 |
0 |
0.452 |
35 |
|
[SO4]A:255 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
10549 |
77.7 |
-12.6 |
0.746 |
8 |
0 |
0 |
0.452 |
36 |
|
[SO4]F:255 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
10350 |
77.6 |
-11.5 |
0.834 |
7 |
0 |
0 |
0.452 |
| Average: |
78.8 |
-12.0 |
0.804 |
7 |
0 |
0 |
0.452 |
| 13 |
37 |
|
C |
8 |
3 |
10578 |
◊ |
B |
-y+1,x-y-1,z-1/3 |
2_644 |
9 |
3 |
10720 |
78.3 |
1.3 |
0.802 |
0 |
2 |
0 |
0.000 |
| 14 |
38 |
|
[R2B]E:256 |
6 |
1 |
263 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
10350 |
61.9 |
0.3 |
0.623 |
1 |
0 |
0 |
0.006 |
39 |
|
[R2B]C:256 |
6 |
1 |
262 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10397 |
61.1 |
-0.0 |
0.594 |
1 |
0 |
0 |
0.006 |
40 |
|
[R2B]F:256 |
5 |
1 |
264 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
10980 |
60.9 |
0.2 |
0.599 |
1 |
0 |
0 |
0.006 |
41 |
|
[R2B]B:256 |
5 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10549 |
59.4 |
1.0 |
0.718 |
1 |
0 |
0 |
0.006 |
42 |
|
[R2B]A:256 |
6 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
10720 |
58.5 |
0.1 |
0.570 |
1 |
0 |
0 |
0.006 |
| Average: |
60.4 |
0.3 |
0.621 |
1 |
0 |
0 |
0.006 |
| 15 |
43 |
|
[R2B]D:256 |
6 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
10578 |
61.1 |
-0.0 |
0.582 |
1 |
0 |
0 |
0.006 |
| 16 |
44 |
|
B |
7 |
4 |
10720 |
◊ |
C |
x-1,y-1,z |
1_445 |
7 |
3 |
10578 |
60.5 |
0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
| 17 |
45 |
|
D |
4 |
2 |
10397 |
◊ |
A |
-y+2,x-y-1,z-1/3 |
2_744 |
4 |
2 |
10549 |
41.8 |
1.0 |
0.870 |
2 |
2 |
0 |
0.000 |
| 18 |
46 |
|
[R2B]E:256 |
7 |
1 |
263 |
f |
[URF]E:254 |
x,y,z |
1_555 |
4 |
1 |
249 |
40.4 |
1.4 |
0.443 |
0 |
0 |
0 |
0.000 |
47 |
|
[R2B]D:256 |
6 |
1 |
261 |
f |
[URF]D:254 |
x,y,z |
1_555 |
4 |
1 |
251 |
40.4 |
1.4 |
0.452 |
0 |
0 |
0 |
0.000 |
48 |
|
[R2B]A:256 |
6 |
1 |
263 |
f |
[URF]A:254 |
x,y,z |
1_555 |
4 |
1 |
252 |
40.0 |
1.2 |
0.426 |
0 |
0 |
0 |
0.000 |
49 |
|
[R2B]F:256 |
7 |
1 |
264 |
f |
[URF]F:254 |
x,y,z |
1_555 |
4 |
1 |
251 |
39.6 |
1.2 |
0.404 |
0 |
0 |
0 |
0.000 |
50 |
|
[R2B]B:256 |
6 |
1 |
261 |
f |
[URF]B:254 |
x,y,z |
1_555 |
4 |
1 |
250 |
38.8 |
1.2 |
0.406 |
0 |
0 |
0 |
0.000 |
51 |
|
[R2B]C:256 |
7 |
1 |
262 |
f |
[URF]C:254 |
x,y,z |
1_555 |
4 |
1 |
253 |
38.8 |
1.2 |
0.411 |
0 |
0 |
0 |
0.000 |
| Average: |
39.7 |
1.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| 19 |
52 |
|
[R2B]F:256 |
6 |
1 |
264 |
f |
[SO4]F:255 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.9 |
-4.5 |
0.740 |
0 |
0 |
0 |
0.068 |
| 20 |
53 |
|
[R2B]C:256 |
6 |
1 |
262 |
f |
[SO4]C:255 |
x,y,z |
1_555 |
4 |
1 |
187 |
35.6 |
-4.5 |
0.756 |
0 |
0 |
0 |
0.127 |
54 |
|
[R2B]B:256 |
6 |
1 |
261 |
f |
[SO4]B:255 |
x,y,z |
1_555 |
4 |
1 |
186 |
35.3 |
-4.4 |
0.738 |
0 |
0 |
0 |
0.127 |
55 |
|
[R2B]E:256 |
6 |
1 |
263 |
f |
[SO4]E:255 |
x,y,z |
1_555 |
4 |
1 |
187 |
35.2 |
-4.5 |
0.740 |
0 |
0 |
0 |
0.127 |
56 |
|
[R2B]A:256 |
6 |
1 |
263 |
f |
[SO4]A:255 |
x,y,z |
1_555 |
4 |
1 |
187 |
34.9 |
-4.4 |
0.723 |
0 |
0 |
0 |
0.127 |
57 |
|
[R2B]D:256 |
6 |
1 |
261 |
f |
[SO4]D:255 |
x,y,z |
1_555 |
4 |
1 |
186 |
33.4 |
-4.2 |
0.756 |
0 |
0 |
0 |
0.127 |
| Average: |
34.9 |
-4.4 |
0.743 |
0 |
0 |
0 |
0.127 |
| 21 |
58 |
|
[SO4]D:255 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10578 |
34.6 |
-2.4 |
0.981 |
2 |
0 |
0 |
0.089 |
59 |
|
[SO4]C:255 |
3 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10397 |
34.3 |
-2.4 |
0.975 |
2 |
0 |
0 |
0.089 |
60 |
|
[SO4]B:255 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10549 |
34.2 |
-2.4 |
0.982 |
2 |
0 |
0 |
0.089 |
61 |
|
[SO4]E:255 |
3 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10350 |
33.9 |
-2.4 |
0.974 |
2 |
0 |
0 |
0.089 |
62 |
|
[SO4]A:255 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10720 |
33.9 |
-2.4 |
0.980 |
2 |
0 |
0 |
0.089 |
63 |
|
[SO4]F:255 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10980 |
33.3 |
-2.3 |
0.976 |
2 |
0 |
0 |
0.089 |
| Average: |
34.0 |
-2.4 |
0.978 |
2 |
0 |
0 |
0.089 |
| 22 |
64 |
|
E |
4 |
2 |
10980 |
◊ |
A |
-y+2,x-y-1,z-1/3 |
2_744 |
4 |
2 |
10549 |
26.5 |
-0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
| 23 |
65 |
|
[URF]C:254 |
3 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10397 |
19.2 |
0.1 |
0.231 |
0 |
0 |
0 |
0.000 |
66 |
|
[URF]B:254 |
3 |
1 |
250 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10549 |
17.9 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
67 |
|
[URF]D:254 |
4 |
1 |
251 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10578 |
17.3 |
0.1 |
0.224 |
0 |
0 |
0 |
0.000 |
68 |
|
[URF]A:254 |
3 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10720 |
15.1 |
0.1 |
0.250 |
0 |
0 |
0 |
0.000 |
69 |
|
[URF]E:254 |
3 |
1 |
249 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10350 |
12.9 |
0.1 |
0.268 |
0 |
0 |
0 |
0.000 |
70 |
|
[URF]F:254 |
3 |
1 |
251 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10980 |
12.3 |
0.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| Average: |
15.8 |
0.1 |
0.244 |
0 |
0 |
0 |
0.000 |
| 24 |
71 |
|
[SO4]A:255 |
1 |
1 |
187 |
f |
[URF]A:254 |
x,y,z |
1_555 |
2 |
1 |
252 |
4.0 |
-0.4 |
0.398 |
0 |
0 |
0 |
0.011 |
72 |
|
[SO4]F:255 |
1 |
1 |
185 |
f |
[URF]F:254 |
x,y,z |
1_555 |
1 |
1 |
251 |
3.4 |
-0.4 |
0.422 |
0 |
0 |
0 |
0.011 |
73 |
|
[SO4]B:255 |
1 |
1 |
186 |
f |
[URF]B:254 |
x,y,z |
1_555 |
1 |
1 |
250 |
3.2 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.011 |
74 |
|
[SO4]E:255 |
1 |
1 |
187 |
f |
[URF]E:254 |
x,y,z |
1_555 |
1 |
1 |
249 |
2.7 |
-0.3 |
0.471 |
0 |
0 |
0 |
0.011 |
75 |
|
[SO4]C:255 |
1 |
1 |
187 |
f |
[URF]C:254 |
x,y,z |
1_555 |
1 |
1 |
253 |
2.5 |
-0.3 |
0.471 |
0 |
0 |
0 |
0.011 |
76 |
|
[SO4]D:255 |
1 |
1 |
186 |
f |
[URF]D:254 |
x,y,z |
1_555 |
1 |
1 |
251 |
2.1 |
-0.3 |
0.471 |
0 |
0 |
0 |
0.011 |
| Average: |
3.0 |
-0.3 |
0.451 |
0 |
0 |
0 |
0.011 |
| 25 |
77 |
|
D |
1 |
1 |
10397 |
◊ |
F |
-y+2,x-y-1,z-1/3 |
2_744 |
1 |
1 |
10350 |
3.9 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 26 |
78 |
|
E |
1 |
1 |
10980 |
x |
E |
-y+1,x-y-2,z-1/3 |
2_634 |
1 |
1 |
10980 |
0.7 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
|