| ## |
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 |
231 |
66 |
13672 |
◊ |
A |
x,y,z |
1_555 |
233 |
58 |
13555 |
2251.9 |
-25.6 |
0.161 |
37 |
7 |
0 |
0.509 |
2 |
|
E |
234 |
67 |
13633 |
◊ |
D |
x,y,z |
1_555 |
233 |
58 |
13560 |
2246.0 |
-25.7 |
0.161 |
37 |
5 |
0 |
0.509 |
3 |
|
D |
228 |
66 |
13560 |
◊ |
C |
x,y,z |
1_555 |
235 |
57 |
13562 |
2239.0 |
-25.0 |
0.187 |
37 |
4 |
0 |
0.509 |
4 |
|
E |
233 |
58 |
13633 |
◊ |
A |
x,y,z |
1_555 |
228 |
67 |
13555 |
2233.8 |
-27.1 |
0.110 |
35 |
4 |
0 |
0.509 |
5 |
|
C |
227 |
65 |
13562 |
◊ |
B |
x,y,z |
1_555 |
232 |
57 |
13672 |
2225.1 |
-26.2 |
0.141 |
38 |
5 |
0 |
0.509 |
| Average: |
2239.2 |
-25.9 |
0.152 |
37 |
5 |
0 |
0.509 |
| 2 |
6 |
|
C |
29 |
7 |
13562 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
33 |
8 |
13555 |
257.4 |
-1.7 |
0.559 |
9 |
2 |
0 |
0.032 |
7 |
|
E |
30 |
8 |
13633 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
30 |
8 |
13560 |
247.3 |
-1.2 |
0.641 |
9 |
1 |
0 |
0.032 |
8 |
|
B |
26 |
7 |
13672 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
26 |
7 |
13672 |
237.0 |
-1.7 |
0.553 |
8 |
0 |
0 |
0.032 |
| Average: |
247.3 |
-1.5 |
0.584 |
9 |
1 |
0 |
0.032 |
| 3 |
9 |
|
[SIA]C:301 |
16 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
13562 |
219.4 |
-1.6 |
0.401 |
6 |
0 |
0 |
0.114 |
10 |
|
[SIA]D:301 |
16 |
1 |
435 |
f |
D |
x,y,z |
1_555 |
28 |
12 |
13560 |
219.2 |
-1.3 |
0.429 |
7 |
0 |
0 |
0.114 |
11 |
|
[SIA]B:301 |
16 |
1 |
446 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
13672 |
218.5 |
-1.6 |
0.449 |
6 |
0 |
0 |
0.114 |
| Average: |
219.1 |
-1.5 |
0.427 |
6 |
0 |
0 |
0.114 |
| 4 |
12 |
|
E |
25 |
9 |
13633 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
17 |
7 |
13672 |
200.8 |
1.9 |
0.898 |
4 |
6 |
0 |
0.000 |
| 5 |
13 |
|
[GOL]B:304 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13672 |
137.2 |
-1.1 |
0.506 |
1 |
0 |
0 |
0.041 |
14 |
|
[GOL]E:304 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
13633 |
135.9 |
-1.0 |
0.507 |
1 |
0 |
0 |
0.041 |
15 |
|
[GOL]A:304 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
13555 |
132.7 |
-0.8 |
0.501 |
2 |
0 |
0 |
0.041 |
| Average: |
135.3 |
-1.0 |
0.505 |
1 |
0 |
0 |
0.041 |
| 6 |
16 |
|
[GOL]C:307 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
13562 |
128.4 |
-0.9 |
0.508 |
2 |
0 |
0 |
0.024 |
| 7 |
17 |
|
[GOL]C:304 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
13562 |
126.3 |
-0.5 |
0.581 |
4 |
0 |
0 |
0.030 |
| 8 |
18 |
|
[GOL]D:306 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
13560 |
125.8 |
-0.5 |
0.525 |
4 |
0 |
0 |
0.029 |
19 |
|
[GOL]C:308 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
13562 |
124.8 |
-0.9 |
0.505 |
3 |
0 |
0 |
0.029 |
| Average: |
125.3 |
-0.7 |
0.515 |
4 |
0 |
0 |
0.029 |
| 9 |
20 |
|
[GOL]A:305 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13555 |
124.1 |
-0.4 |
0.561 |
5 |
0 |
0 |
0.059 |
21 |
|
[GOL]B:305 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
13672 |
123.3 |
-0.5 |
0.565 |
4 |
0 |
0 |
0.059 |
| Average: |
123.7 |
-0.4 |
0.563 |
5 |
0 |
0 |
0.059 |
| 10 |
22 |
|
[GOL]A:301 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
13555 |
123.6 |
0.0 |
0.641 |
7 |
0 |
0 |
0.036 |
| 11 |
23 |
|
[GOL]D:303 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
13560 |
123.5 |
-0.0 |
0.655 |
8 |
0 |
0 |
0.008 |
| 12 |
24 |
|
[GOL]E:301 |
6 |
1 |
223 |
f |
E |
x,y,z |
1_555 |
20 |
7 |
13633 |
121.7 |
-0.5 |
0.531 |
4 |
0 |
0 |
0.005 |
| 13 |
25 |
|
D |
12 |
3 |
13560 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
11 |
5 |
13672 |
116.7 |
2.6 |
0.916 |
3 |
5 |
0 |
0.000 |
| 14 |
26 |
|
[GOL]D:304 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
13560 |
109.5 |
-0.2 |
0.598 |
3 |
0 |
0 |
0.004 |
| 15 |
27 |
|
[GOL]E:305 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
23 |
9 |
13633 |
109.5 |
0.3 |
0.685 |
5 |
0 |
0 |
0.005 |
| 16 |
28 |
|
[GOL]E:303 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
13633 |
109.3 |
-1.1 |
0.494 |
2 |
0 |
0 |
0.005 |
| 17 |
29 |
|
[GOL]A:302 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
13555 |
107.5 |
-0.3 |
0.573 |
4 |
0 |
0 |
0.025 |
| 18 |
30 |
|
[GOL]C:306 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
13562 |
99.8 |
-0.0 |
0.627 |
3 |
0 |
0 |
0.018 |
| 19 |
31 |
|
E |
13 |
5 |
13633 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
12 |
5 |
13555 |
99.0 |
0.8 |
0.809 |
1 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[EDO]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
13562 |
97.0 |
2.7 |
0.494 |
2 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[EDO]B:302 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
13672 |
96.1 |
2.5 |
0.470 |
2 |
0 |
0 |
0.000 |
| 22 |
34 |
|
C |
9 |
5 |
13562 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
12 |
5 |
13633 |
91.3 |
1.2 |
0.712 |
1 |
0 |
0 |
0.000 |
35 |
|
D |
8 |
4 |
13560 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
10 |
4 |
13555 |
83.1 |
0.7 |
0.694 |
1 |
0 |
0 |
0.000 |
| Average: |
87.2 |
0.9 |
0.703 |
1 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[SIA]D:302 |
12 |
1 |
444 |
cf |
[SIA]D:301 |
x,y,z |
1_555 |
10 |
1 |
435 |
77.7 |
1.5 |
0.549 |
0 |
0 |
0 |
0.000 |
37 |
|
[SIA]C:302 |
11 |
1 |
444 |
cf |
[SIA]C:301 |
x,y,z |
1_555 |
10 |
1 |
436 |
76.2 |
1.6 |
0.550 |
0 |
0 |
0 |
0.000 |
| Average: |
76.9 |
1.5 |
0.550 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[K]D:307 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
13560 |
77.1 |
-43.1 |
0.000 |
0 |
0 |
0 |
0.198 |
39 |
|
[K]A:306 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
13633 |
77.1 |
-40.6 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
77.1 |
-41.8 |
0.000 |
0 |
0 |
0 |
0.198 |
| 25 |
40 |
|
[K]D:307 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
13633 |
76.8 |
-42.1 |
0.000 |
0 |
0 |
0 |
0.198 |
41 |
|
[K]A:306 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
13555 |
75.0 |
-41.6 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
75.9 |
-41.9 |
0.000 |
0 |
0 |
0 |
0.198 |
| 26 |
42 |
|
[EDO]C:305 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
13562 |
76.2 |
1.8 |
0.221 |
1 |
0 |
0 |
0.000 |
| 27 |
43 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13555 |
76.1 |
1.7 |
0.215 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]D:305 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
13560 |
72.0 |
1.5 |
0.232 |
0 |
0 |
0 |
0.000 |
| Average: |
74.0 |
1.6 |
0.224 |
0 |
0 |
0 |
0.000 |
| 28 |
45 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13672 |
75.6 |
1.6 |
0.217 |
0 |
0 |
0 |
0.000 |
| 29 |
46 |
|
[EDO]E:302 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
13633 |
73.7 |
1.5 |
0.222 |
1 |
0 |
0 |
0.000 |
| 30 |
47 |
|
[SIA]C:301 |
6 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
13560 |
60.1 |
-1.3 |
0.330 |
0 |
0 |
0 |
0.009 |
48 |
|
[SIA]B:301 |
6 |
1 |
446 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
13562 |
58.3 |
-1.2 |
0.349 |
0 |
0 |
0 |
0.009 |
49 |
|
[SIA]D:301 |
6 |
1 |
435 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
13633 |
58.1 |
-1.2 |
0.345 |
0 |
0 |
0 |
0.009 |
| Average: |
58.8 |
-1.2 |
0.341 |
0 |
0 |
0 |
0.009 |
| 31 |
50 |
|
[SIA]C:302 |
9 |
1 |
444 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
13562 |
59.3 |
-1.2 |
0.392 |
0 |
0 |
0 |
0.016 |
51 |
|
[SIA]D:302 |
9 |
1 |
444 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
13560 |
56.4 |
-0.9 |
0.453 |
0 |
0 |
0 |
0.016 |
| Average: |
57.9 |
-1.0 |
0.423 |
0 |
0 |
0 |
0.016 |
| 32 |
52 |
|
[GOL]E:305 |
3 |
1 |
220 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
13672 |
38.9 |
-0.6 |
0.352 |
0 |
0 |
0 |
0.000 |
| 33 |
53 |
|
[GOL]B:305 |
3 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
13555 |
38.2 |
-0.1 |
0.557 |
1 |
0 |
0 |
0.003 |
54 |
|
[GOL]A:305 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
13633 |
38.2 |
-0.2 |
0.567 |
1 |
0 |
0 |
0.003 |
| Average: |
38.2 |
-0.1 |
0.562 |
1 |
0 |
0 |
0.003 |
| 34 |
55 |
|
[GOL]C:308 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
13672 |
37.8 |
-0.4 |
0.514 |
0 |
0 |
0 |
0.000 |
| 35 |
56 |
|
[GOL]D:306 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
13562 |
36.5 |
-0.4 |
0.513 |
0 |
0 |
0 |
0.000 |
| 36 |
57 |
|
[SIA]D:302 |
1 |
1 |
444 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
13562 |
33.5 |
-0.7 |
0.325 |
0 |
0 |
0 |
0.003 |
58 |
|
[SIA]C:302 |
2 |
1 |
444 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
13672 |
33.4 |
-0.7 |
0.389 |
0 |
0 |
0 |
0.003 |
| Average: |
33.5 |
-0.7 |
0.357 |
0 |
0 |
0 |
0.003 |
| 37 |
59 |
|
[GOL]E:305 |
3 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
13560 |
33.3 |
-0.1 |
0.554 |
1 |
0 |
0 |
0.001 |
| 38 |
60 |
|
[GOL]A:304 |
3 |
1 |
220 |
f |
[GOL]A:302 |
x,y,z |
1_555 |
2 |
1 |
218 |
33.0 |
0.2 |
0.661 |
2 |
0 |
0 |
0.008 |
| 39 |
61 |
|
[GOL]E:304 |
4 |
1 |
219 |
f |
[GOL]E:303 |
x,y,z |
1_555 |
2 |
1 |
218 |
31.8 |
0.4 |
0.721 |
2 |
0 |
0 |
0.001 |
| 40 |
62 |
|
[EDO]C:303 |
2 |
1 |
184 |
f |
[GOL]C:306 |
x,y,z |
1_555 |
2 |
1 |
220 |
28.9 |
0.5 |
0.764 |
1 |
0 |
0 |
0.000 |
| 41 |
63 |
|
[EDO]C:303 |
2 |
1 |
184 |
f |
[GOL]C:307 |
x,y,z |
1_555 |
2 |
1 |
219 |
28.1 |
0.9 |
0.866 |
1 |
0 |
0 |
0.000 |
| 42 |
64 |
|
[GOL]C:307 |
2 |
1 |
219 |
f |
[GOL]C:306 |
x,y,z |
1_555 |
3 |
1 |
220 |
25.9 |
0.6 |
0.736 |
1 |
0 |
0 |
0.000 |
| 43 |
65 |
|
[EDO]A:303 |
2 |
1 |
184 |
f |
[GOL]A:302 |
x,y,z |
1_555 |
2 |
1 |
218 |
25.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 44 |
66 |
|
[EDO]E:302 |
2 |
1 |
185 |
f |
[GOL]E:303 |
x,y,z |
1_555 |
2 |
1 |
218 |
25.6 |
0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
| 45 |
67 |
|
[EDO]B:303 |
2 |
1 |
184 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
24.8 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
68 |
|
[EDO]C:305 |
2 |
1 |
185 |
f |
[GOL]C:306 |
x,y,z |
1_555 |
4 |
1 |
220 |
23.8 |
0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
| 47 |
69 |
|
[EDO]D:305 |
2 |
1 |
184 |
f |
[GOL]D:304 |
x,y,z |
1_555 |
4 |
1 |
220 |
22.8 |
0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
| 48 |
70 |
|
[GOL]C:306 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13672 |
22.5 |
1.0 |
0.738 |
0 |
0 |
0 |
0.000 |
71 |
|
[GOL]A:302 |
2 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
13633 |
20.1 |
1.0 |
0.835 |
0 |
0 |
0 |
0.000 |
| Average: |
21.3 |
1.0 |
0.786 |
0 |
0 |
0 |
0.000 |
| 49 |
72 |
|
[GOL]D:304 |
2 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
13562 |
22.2 |
1.0 |
0.733 |
0 |
0 |
0 |
0.000 |
| 50 |
73 |
|
[GOL]E:305 |
2 |
1 |
220 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
13555 |
20.4 |
0.7 |
0.754 |
1 |
0 |
0 |
0.000 |
| 51 |
74 |
|
[GOL]E:303 |
2 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
13560 |
18.4 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
| 52 |
75 |
|
[EDO]B:302 |
2 |
1 |
186 |
f |
[GOL]B:304 |
x,y,z |
1_555 |
2 |
1 |
219 |
16.6 |
0.4 |
0.866 |
1 |
0 |
0 |
0.001 |
| 53 |
76 |
|
[EDO]B:302 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13555 |
16.5 |
1.0 |
0.965 |
0 |
0 |
0 |
0.000 |
| 54 |
77 |
|
D |
3 |
1 |
13560 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
13555 |
14.1 |
-0.6 |
0.263 |
0 |
0 |
0 |
0.000 |
| 55 |
78 |
|
D |
1 |
1 |
13560 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
13562 |
13.7 |
0.3 |
0.860 |
0 |
0 |
0 |
0.000 |
| 56 |
79 |
|
[GOL]A:304 |
1 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13633 |
0.3 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
|