| ## |
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 |
|
E |
123 |
33 |
13926 |
◊ |
D |
x,y,z |
1_555 |
122 |
33 |
14746 |
1161.8 |
-8.7 |
0.267 |
19 |
14 |
0 |
0.452 |
2 |
|
C |
114 |
31 |
15149 |
◊ |
B |
x,y,z |
1_555 |
115 |
32 |
13825 |
1083.5 |
-7.7 |
0.293 |
18 |
15 |
0 |
0.452 |
3 |
|
C |
116 |
32 |
15149 |
◊ |
A |
x,y,z |
1_555 |
118 |
30 |
13947 |
1068.9 |
-7.1 |
0.286 |
18 |
15 |
0 |
0.452 |
4 |
|
F |
113 |
33 |
13867 |
◊ |
E |
x,y,z |
1_555 |
113 |
30 |
13926 |
1065.2 |
-6.2 |
0.325 |
20 |
15 |
0 |
0.452 |
5 |
|
B |
113 |
30 |
13825 |
◊ |
A |
x,y,z |
1_555 |
117 |
32 |
13947 |
1055.2 |
-8.0 |
0.227 |
18 |
14 |
0 |
0.452 |
6 |
|
F |
106 |
31 |
13867 |
◊ |
D |
x,y,z |
1_555 |
104 |
28 |
14746 |
992.8 |
-4.8 |
0.421 |
15 |
16 |
0 |
0.452 |
| Average: |
1071.2 |
-7.1 |
0.303 |
18 |
15 |
0 |
0.452 |
| 2 |
7 |
|
E |
96 |
31 |
13926 |
◊ |
A |
x,y,z |
1_555 |
105 |
32 |
13947 |
945.2 |
3.4 |
0.837 |
15 |
14 |
0 |
0.070 |
8 |
|
D |
79 |
23 |
14746 |
◊ |
C |
x,y,z |
1_555 |
76 |
23 |
15149 |
735.4 |
-0.2 |
0.703 |
11 |
12 |
0 |
0.070 |
9 |
|
F |
69 |
24 |
13867 |
◊ |
B |
x,y,z |
1_555 |
68 |
22 |
13825 |
708.3 |
1.4 |
0.745 |
12 |
11 |
0 |
0.070 |
| Average: |
796.3 |
1.6 |
0.762 |
13 |
12 |
0 |
0.070 |
| 3 |
10 |
|
A |
100 |
26 |
13947 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
100 |
27 |
15149 |
908.5 |
-6.4 |
0.264 |
11 |
3 |
0 |
0.022 |
11 |
|
D |
87 |
26 |
14746 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
80 |
22 |
13926 |
797.0 |
-4.6 |
0.254 |
8 |
3 |
0 |
0.022 |
| Average: |
852.7 |
-5.5 |
0.259 |
10 |
3 |
0 |
0.022 |
| 4 |
12 |
|
B |
34 |
7 |
13825 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
30 |
9 |
13947 |
286.0 |
-1.7 |
0.428 |
2 |
2 |
0 |
0.000 |
| 5 |
13 |
|
D |
24 |
7 |
14746 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
8 |
13947 |
243.1 |
-1.9 |
0.181 |
2 |
0 |
0 |
0.000 |
| 6 |
14 |
|
E |
23 |
7 |
13926 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
21 |
7 |
15149 |
241.9 |
-1.0 |
0.285 |
3 |
0 |
0 |
0.000 |
| 7 |
15 |
|
F |
25 |
12 |
13867 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
7 |
14746 |
224.7 |
-0.2 |
0.548 |
1 |
1 |
0 |
0.000 |
| 8 |
16 |
|
[CP]C:401 |
8 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
15149 |
155.0 |
-6.2 |
0.585 |
16 |
0 |
0 |
0.308 |
17 |
|
[CP]B:401 |
8 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
13825 |
138.0 |
-5.3 |
0.590 |
16 |
0 |
0 |
0.308 |
18 |
|
[CP]A:401 |
8 |
1 |
249 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
13947 |
133.9 |
-4.9 |
0.591 |
16 |
0 |
0 |
0.308 |
| Average: |
142.3 |
-5.4 |
0.589 |
16 |
0 |
0 |
0.308 |
| 9 |
19 |
|
[CP]F:401 |
8 |
1 |
251 |
f |
F |
x,y,z |
1_555 |
22 |
12 |
13867 |
154.2 |
-5.9 |
0.575 |
16 |
0 |
0 |
0.351 |
20 |
|
[CP]E:1102 |
8 |
1 |
250 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
13926 |
153.4 |
-5.9 |
0.569 |
16 |
0 |
0 |
0.351 |
21 |
|
[CP]D:401 |
8 |
1 |
249 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
14746 |
150.6 |
-6.0 |
0.599 |
16 |
0 |
0 |
0.351 |
| Average: |
152.7 |
-5.9 |
0.581 |
16 |
0 |
0 |
0.351 |
| 10 |
22 |
|
[GOL]B:406 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
13825 |
141.3 |
-0.2 |
0.552 |
5 |
0 |
0 |
0.023 |
23 |
|
[GOL]D:402 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
14746 |
138.0 |
0.1 |
0.602 |
6 |
0 |
0 |
0.023 |
| Average: |
139.7 |
-0.0 |
0.577 |
6 |
0 |
0 |
0.023 |
| 11 |
24 |
|
[GOL]B:403 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
13825 |
133.6 |
0.1 |
0.568 |
7 |
0 |
0 |
0.024 |
| 12 |
25 |
|
[GOL]B:404 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
13825 |
132.3 |
-0.3 |
0.566 |
2 |
0 |
0 |
0.009 |
| 13 |
26 |
|
[GOL]F:405 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
13867 |
132.1 |
0.5 |
0.633 |
6 |
0 |
0 |
0.020 |
| 14 |
27 |
|
[GOL]F:403 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
25 |
12 |
13867 |
131.7 |
-0.6 |
0.480 |
3 |
0 |
0 |
0.017 |
| 15 |
28 |
|
[GOL]C:403 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
28 |
8 |
15149 |
128.8 |
0.0 |
0.638 |
5 |
0 |
0 |
0.018 |
| 16 |
29 |
|
[GOL]A:403 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13947 |
124.9 |
0.5 |
0.635 |
6 |
0 |
0 |
0.018 |
| 17 |
30 |
|
[GOL]A:402 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
13947 |
124.1 |
1.0 |
0.668 |
3 |
0 |
0 |
0.003 |
| 18 |
31 |
|
[GOL]B:402 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
13825 |
124.1 |
0.4 |
0.652 |
5 |
0 |
0 |
0.018 |
32 |
|
[GOL]F:402 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
13867 |
123.2 |
0.7 |
0.646 |
6 |
0 |
0 |
0.018 |
| Average: |
123.7 |
0.6 |
0.649 |
6 |
0 |
0 |
0.018 |
| 19 |
33 |
|
[GOL]E:1104 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
13926 |
123.9 |
0.6 |
0.656 |
5 |
0 |
0 |
0.014 |
| 20 |
34 |
|
[ACT]F:404 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
13867 |
118.6 |
-1.1 |
0.523 |
1 |
0 |
0 |
0.035 |
35 |
|
[ACT]D:403 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
14746 |
117.2 |
-0.7 |
0.637 |
1 |
0 |
0 |
0.035 |
36 |
|
[ACT]E:1105 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
21 |
8 |
13926 |
115.8 |
-0.8 |
0.614 |
1 |
0 |
0 |
0.035 |
| Average: |
117.2 |
-0.9 |
0.591 |
1 |
0 |
0 |
0.035 |
| 21 |
37 |
|
[ACT]A:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13947 |
117.4 |
-0.7 |
0.607 |
1 |
0 |
0 |
0.028 |
38 |
|
[ACT]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
13825 |
116.9 |
-0.7 |
0.627 |
1 |
0 |
0 |
0.028 |
39 |
|
[ACT]C:405 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
15149 |
113.0 |
-0.7 |
0.602 |
1 |
0 |
0 |
0.028 |
| Average: |
115.8 |
-0.7 |
0.612 |
1 |
0 |
0 |
0.028 |
| 22 |
40 |
|
[ACT]C:404 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
15149 |
116.3 |
-0.2 |
0.693 |
3 |
0 |
0 |
0.013 |
| 23 |
41 |
|
[GOL]A:404 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
13947 |
114.2 |
-1.0 |
0.432 |
2 |
0 |
0 |
0.015 |
| 24 |
42 |
|
[GOL]E:1103 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
25 |
8 |
13926 |
108.7 |
-0.1 |
0.594 |
6 |
0 |
0 |
0.025 |
| 25 |
43 |
|
[GOL]C:402 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
15149 |
105.9 |
-0.1 |
0.589 |
2 |
0 |
0 |
0.008 |
| 26 |
44 |
|
[GOL]A:405 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
13947 |
104.4 |
0.2 |
0.627 |
2 |
0 |
0 |
0.005 |
| 27 |
45 |
|
[ACT]B:407 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
13825 |
97.8 |
-0.4 |
0.663 |
0 |
0 |
0 |
0.003 |
| 28 |
46 |
|
[GOL]E:1101 |
5 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
20 |
7 |
13926 |
93.5 |
0.5 |
0.619 |
2 |
0 |
0 |
0.002 |
| 29 |
47 |
|
[GOL]A:406 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
13926 |
90.9 |
-1.0 |
0.399 |
1 |
0 |
0 |
0.013 |
| 30 |
48 |
|
[GOL]E:1101 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
13947 |
88.8 |
-0.1 |
0.545 |
2 |
0 |
0 |
0.008 |
| 31 |
49 |
|
[GOL]A:406 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
13947 |
88.8 |
1.2 |
0.717 |
2 |
0 |
0 |
0.000 |
| 32 |
50 |
|
[ACT]C:406 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
15149 |
87.4 |
-1.1 |
0.504 |
0 |
0 |
0 |
0.009 |
| 33 |
51 |
|
A |
13 |
6 |
13947 |
◊ |
[GOL]C:402 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
219 |
84.5 |
0.0 |
0.555 |
1 |
0 |
0 |
0.000 |
| 34 |
52 |
|
[ACT]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13947 |
65.8 |
-0.4 |
0.644 |
2 |
0 |
0 |
0.010 |
| 35 |
53 |
|
[ACT]A:407 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
13926 |
50.5 |
0.8 |
0.769 |
1 |
0 |
0 |
0.000 |
| 36 |
54 |
|
B |
7 |
2 |
13825 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
15149 |
48.2 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
| 37 |
55 |
|
[GOL]A:402 |
4 |
1 |
221 |
f |
[CP]A:401 |
x,y,z |
1_555 |
5 |
1 |
249 |
40.3 |
-0.3 |
0.730 |
0 |
0 |
0 |
0.002 |
| 38 |
56 |
|
[GOL]D:402 |
4 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
15149 |
38.2 |
-0.1 |
0.555 |
1 |
0 |
0 |
0.003 |
57 |
|
[GOL]B:406 |
4 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
13867 |
34.9 |
0.2 |
0.618 |
1 |
0 |
0 |
0.003 |
| Average: |
36.5 |
0.0 |
0.587 |
1 |
0 |
0 |
0.003 |
| 39 |
58 |
|
[GOL]F:405 |
4 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14746 |
36.8 |
0.1 |
0.610 |
1 |
0 |
0 |
0.003 |
| 40 |
59 |
|
[GOL]A:404 |
3 |
1 |
218 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15149 |
35.8 |
-0.4 |
0.321 |
0 |
0 |
0 |
0.000 |
| 41 |
60 |
|
[ACT]B:407 |
3 |
1 |
183 |
f |
[CP]B:401 |
x,y,z |
1_555 |
5 |
1 |
250 |
33.2 |
0.1 |
0.907 |
1 |
0 |
0 |
0.003 |
| 42 |
61 |
|
[GOL]E:1103 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13947 |
33.1 |
-0.2 |
0.490 |
1 |
0 |
0 |
0.002 |
| 43 |
62 |
|
[ACT]C:406 |
3 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14746 |
31.9 |
0.7 |
0.839 |
0 |
0 |
0 |
0.000 |
| 44 |
63 |
|
[GOL]C:403 |
3 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14746 |
30.5 |
-0.3 |
0.548 |
0 |
0 |
0 |
0.001 |
| 45 |
64 |
|
D |
5 |
1 |
14746 |
◊ |
[ACT]A:407 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
184 |
30.3 |
-0.8 |
0.333 |
0 |
0 |
0 |
0.000 |
| 46 |
65 |
|
[GOL]B:403 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13947 |
29.8 |
-0.1 |
0.506 |
1 |
0 |
0 |
0.005 |
| 47 |
66 |
|
D |
3 |
1 |
14746 |
◊ |
[GOL]E:1103 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
220 |
27.7 |
-1.4 |
0.048 |
0 |
0 |
0 |
0.000 |
| 48 |
67 |
|
[CP]D:401 |
4 |
1 |
249 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
13926 |
26.1 |
-1.2 |
0.802 |
1 |
0 |
0 |
0.028 |
68 |
|
[CP]E:1102 |
4 |
1 |
250 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
13867 |
25.3 |
-1.1 |
0.828 |
1 |
0 |
0 |
0.028 |
| Average: |
25.7 |
-1.1 |
0.815 |
1 |
0 |
0 |
0.028 |
| 49 |
69 |
|
[CP]A:401 |
3 |
1 |
249 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15149 |
25.1 |
-0.9 |
0.806 |
1 |
0 |
0 |
0.037 |
70 |
|
[CP]C:401 |
4 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13825 |
23.2 |
-1.6 |
0.239 |
0 |
0 |
0 |
0.037 |
71 |
|
[CP]B:401 |
4 |
1 |
250 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13947 |
22.6 |
-1.5 |
0.226 |
0 |
0 |
0 |
0.037 |
| Average: |
23.6 |
-1.3 |
0.424 |
0 |
0 |
0 |
0.037 |
| 50 |
72 |
|
[ACT]C:406 |
2 |
1 |
182 |
f |
[GOL]C:403 |
x,y,z |
1_555 |
4 |
1 |
221 |
22.2 |
-0.5 |
0.485 |
0 |
0 |
0 |
0.004 |
| 51 |
73 |
|
A |
5 |
1 |
13947 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
14746 |
18.6 |
-0.3 |
0.495 |
0 |
0 |
0 |
0.000 |
| 52 |
74 |
|
[ACT]A:407 |
2 |
1 |
184 |
◊ |
[GOL]E:1103 |
x,y,z |
1_555 |
3 |
1 |
220 |
12.3 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.001 |
| 53 |
75 |
|
[GOL]A:405 |
1 |
1 |
222 |
f |
[GOL]A:403 |
x,y,z |
1_555 |
2 |
1 |
220 |
6.7 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
| 54 |
76 |
|
A |
1 |
1 |
13947 |
◊ |
[ACT]C:406 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
182 |
3.6 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| 55 |
77 |
|
A |
2 |
1 |
13947 |
◊ |
[GOL]C:403 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
221 |
2.5 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
|