| ## |
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 |
|
C |
116 |
32 |
7780 |
◊ |
A |
x,y,z |
1_555 |
124 |
37 |
7391 |
1115.9 |
-5.0 |
0.569 |
20 |
7 |
0 |
0.155 |
2 |
|
C |
127 |
37 |
7780 |
◊ |
B |
x,y,z |
1_555 |
116 |
32 |
7587 |
1077.6 |
-4.6 |
0.630 |
22 |
7 |
0 |
0.155 |
3 |
|
B |
121 |
35 |
7587 |
◊ |
A |
x,y,z |
1_555 |
113 |
33 |
7391 |
1055.2 |
-5.6 |
0.559 |
17 |
4 |
0 |
0.155 |
| Average: |
1082.9 |
-5.1 |
0.586 |
20 |
6 |
0 |
0.155 |
| 2 |
4 |
|
C |
53 |
17 |
7780 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
44 |
13 |
7391 |
436.2 |
2.5 |
0.858 |
4 |
2 |
0 |
0.000 |
| 3 |
5 |
|
B |
47 |
15 |
7587 |
◊ |
A |
-x,y,-z-1 |
2_554 |
40 |
10 |
7391 |
402.2 |
-0.7 |
0.575 |
7 |
7 |
0 |
0.000 |
| 4 |
6 |
|
B |
44 |
13 |
7587 |
x |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
33 |
11 |
7587 |
330.4 |
-3.4 |
0.413 |
3 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
33 |
12 |
7391 |
◊ |
A |
-x,y,-z |
2_555 |
33 |
12 |
7391 |
285.1 |
1.2 |
0.790 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
27 |
8 |
7780 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
29 |
9 |
7780 |
253.5 |
0.6 |
0.743 |
5 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[AO9]A:165 |
17 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
36 |
13 |
7391 |
238.9 |
-6.4 |
0.226 |
1 |
0 |
0 |
0.072 |
10 |
|
[AO9]A:164 |
17 |
1 |
579 |
f |
C |
x,y,z |
1_555 |
37 |
12 |
7780 |
236.8 |
-6.7 |
0.233 |
1 |
0 |
0 |
0.072 |
11 |
|
[AO9]B:165 |
17 |
1 |
572 |
f |
B |
x,y,z |
1_555 |
34 |
11 |
7587 |
235.5 |
-6.3 |
0.259 |
1 |
0 |
0 |
0.072 |
| Average: |
237.1 |
-6.4 |
0.239 |
1 |
0 |
0 |
0.072 |
| 8 |
12 |
|
[AO9]B:165 |
18 |
1 |
572 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
7780 |
200.0 |
3.0 |
0.864 |
6 |
0 |
0 |
0.002 |
13 |
|
[AO9]A:165 |
16 |
1 |
568 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
7587 |
183.4 |
1.7 |
0.780 |
5 |
0 |
0 |
0.002 |
14 |
|
[AO9]A:164 |
15 |
1 |
579 |
◊ |
A |
x,y,z |
1_555 |
28 |
12 |
7391 |
180.9 |
1.7 |
0.761 |
5 |
0 |
0 |
0.002 |
| Average: |
188.1 |
2.2 |
0.802 |
5 |
0 |
0 |
0.002 |
| 9 |
15 |
|
C |
12 |
4 |
7780 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
15 |
5 |
7587 |
109.6 |
-0.0 |
0.677 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[EDO]A:173 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
7391 |
97.5 |
2.6 |
0.281 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[EDO]A:172 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
7391 |
89.3 |
2.4 |
0.435 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
C |
7 |
2 |
7780 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
7587 |
69.2 |
-0.5 |
0.403 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
B |
5 |
1 |
7587 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
10 |
3 |
7780 |
67.7 |
0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[K]A:170 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
7587 |
65.2 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.378 |
21 |
|
[K]A:170 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
7780 |
64.5 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.378 |
22 |
|
[K]A:170 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
7391 |
64.1 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.378 |
| Average: |
64.6 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.378 |
| 15 |
23 |
|
B |
7 |
3 |
7587 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
2 |
7780 |
53.0 |
-0.8 |
0.398 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[ZN]C:163 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
7780 |
41.4 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.311 |
25 |
|
[ZN]A:163 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7391 |
41.0 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.311 |
26 |
|
[ZN]B:163 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
7587 |
40.4 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.311 |
| Average: |
40.9 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.311 |
| 17 |
27 |
|
A |
4 |
1 |
7391 |
◊ |
A |
-x,y,-z-1 |
2_554 |
4 |
1 |
7391 |
25.8 |
0.7 |
0.822 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[AO9]A:165 |
2 |
1 |
568 |
f |
[ZN]A:163 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.059 |
29 |
|
[AO9]A:164 |
2 |
1 |
579 |
f |
[ZN]C:163 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.059 |
30 |
|
[AO9]B:165 |
2 |
1 |
572 |
f |
[ZN]B:163 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
15.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 19 |
31 |
|
[ZN]B:163 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7780 |
10.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.035 |
32 |
|
[ZN]A:163 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7587 |
10.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.035 |
33 |
|
[ZN]C:163 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7391 |
9.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
10.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 20 |
34 |
|
B |
1 |
1 |
7587 |
◊ |
B |
-x,y,-z-1 |
2_554 |
1 |
1 |
7587 |
8.7 |
0.3 |
0.848 |
0 |
0 |
0 |
0.000 |
|