| ## |
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 |
|
D |
72 |
18 |
3227 |
◊ |
B |
x,y,z |
1_555 |
69 |
17 |
3212 |
645.2 |
-9.1 |
0.713 |
8 |
0 |
0 |
1.000 |
| 2 |
2 |
|
D |
59 |
17 |
3227 |
◊ |
C |
x,y,z |
1_555 |
56 |
13 |
2079 |
635.0 |
-13.3 |
0.248 |
7 |
2 |
2 |
1.000 |
3 |
|
B |
69 |
18 |
3212 |
◊ |
A |
x,y,z |
1_555 |
56 |
13 |
2118 |
619.4 |
-11.9 |
0.429 |
4 |
3 |
2 |
1.000 |
| Average: |
627.2 |
-12.6 |
0.339 |
6 |
3 |
2 |
1.000 |
| 3 |
4 |
|
A |
30 |
10 |
2118 |
x |
A |
-z+1,x-1/2,-y+1/2 |
8_645 |
22 |
5 |
2118 |
216.2 |
0.7 |
0.950 |
6 |
0 |
0 |
0.000 |
| 4 |
5 |
|
D |
18 |
7 |
3227 |
x |
D |
z,x-1,y+1 |
5_546 |
22 |
5 |
3227 |
188.0 |
-3.0 |
0.413 |
1 |
0 |
0 |
0.107 |
6 |
|
B |
22 |
5 |
3212 |
x |
B |
z,x-1,y+1 |
5_546 |
19 |
7 |
3212 |
164.1 |
-4.0 |
0.372 |
0 |
0 |
0 |
0.107 |
| Average: |
176.0 |
-3.5 |
0.393 |
1 |
0 |
0 |
0.107 |
| 5 |
7 |
|
A |
20 |
8 |
2118 |
◊ |
B |
-z+1,x-1/2,-y+1/2 |
8_645 |
13 |
3 |
3212 |
158.7 |
-0.5 |
0.829 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
16 |
5 |
2118 |
◊ |
B |
z,x-1,y+1 |
5_546 |
18 |
4 |
3212 |
148.4 |
-2.6 |
0.568 |
1 |
0 |
0 |
0.049 |
9 |
|
D |
18 |
3 |
3227 |
◊ |
C |
z,x-1,y+1 |
5_546 |
18 |
5 |
2079 |
147.0 |
-2.4 |
0.593 |
1 |
0 |
0 |
0.049 |
| Average: |
147.7 |
-2.5 |
0.581 |
1 |
0 |
0 |
0.049 |
| 7 |
10 |
|
B |
12 |
5 |
3212 |
◊ |
D |
z,x-1,y+1 |
5_546 |
11 |
5 |
3227 |
137.4 |
-1.9 |
0.507 |
0 |
0 |
0 |
0.038 |
| 8 |
11 |
|
A |
5 |
3 |
2118 |
◊ |
D |
z,x-1,y+1 |
5_546 |
8 |
2 |
3227 |
73.6 |
-2.0 |
0.271 |
0 |
0 |
0 |
0.083 |
12 |
|
B |
8 |
2 |
3212 |
◊ |
C |
z,x-1,y+1 |
5_546 |
4 |
2 |
2079 |
70.5 |
-2.1 |
0.224 |
0 |
0 |
0 |
0.083 |
| Average: |
72.1 |
-2.0 |
0.247 |
0 |
0 |
0 |
0.083 |
| 9 |
13 |
|
[IPH]C:200 |
7 |
1 |
238 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
3227 |
71.9 |
1.4 |
0.011 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[IPH]A:100 |
7 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
3212 |
71.1 |
1.5 |
0.013 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[IPH]C:200 |
6 |
1 |
238 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
2079 |
70.6 |
1.5 |
0.018 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[IPH]A:100 |
5 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
2118 |
69.0 |
1.5 |
0.077 |
2 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[IPH]A:100 |
7 |
1 |
237 |
◊ |
B |
z,x-1,y+1 |
5_546 |
6 |
3 |
3212 |
58.8 |
0.9 |
0.596 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
D |
6 |
3 |
3227 |
◊ |
[IPH]C:200 |
z,x-1,y+1 |
5_546 |
7 |
1 |
238 |
58.7 |
0.9 |
0.569 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
B |
9 |
4 |
3212 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
2079 |
58.5 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
4 |
3 |
3227 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
2118 |
18.4 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
| Average: |
38.5 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[CL]D:202 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
7 |
2 |
3227 |
49.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.198 |
22 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
3212 |
47.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
48.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.198 |
| 17 |
23 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
7 |
2 |
3212 |
38.4 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.560 |
24 |
|
[ZN]D:201 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
6 |
2 |
3227 |
37.0 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.560 |
| Average: |
37.7 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.560 |
| 18 |
25 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
[ZN]D:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.160 |
| 19 |
26 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.153 |
| 20 |
27 |
|
A |
2 |
1 |
2118 |
◊ |
D |
-z+1,x-1/2,-y+1/2 |
8_645 |
4 |
2 |
3227 |
30.2 |
-0.5 |
0.433 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
A |
3 |
1 |
2118 |
◊ |
C |
z,x-1,y+1 |
5_546 |
2 |
1 |
2079 |
25.7 |
-0.8 |
0.318 |
0 |
0 |
0 |
0.017 |
| 22 |
29 |
|
B |
3 |
1 |
3212 |
x |
B |
-z+1,x-1/2,-y+1/2 |
8_645 |
2 |
2 |
3212 |
24.5 |
0.9 |
0.892 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
D |
4 |
3 |
3227 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
3212 |
20.9 |
0.3 |
0.802 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[IPH]A:100 |
2 |
1 |
237 |
f |
D |
z,x-1,y+1 |
5_546 |
1 |
1 |
3227 |
20.0 |
0.2 |
0.099 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
B |
1 |
1 |
3212 |
f |
[IPH]C:200 |
z,x-1,y+1 |
5_546 |
3 |
1 |
238 |
18.8 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
|