| ## |
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 |
258 |
68 |
19411 |
◊ |
A |
x,y,z |
1_555 |
255 |
66 |
19288 |
2535.1 |
-36.8 |
0.015 |
31 |
11 |
0 |
0.313 |
| 2 |
2 |
|
B |
90 |
24 |
19411 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
79 |
25 |
19288 |
801.0 |
4.7 |
0.956 |
14 |
5 |
0 |
0.000 |
| 3 |
3 |
|
B |
89 |
26 |
19411 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
72 |
22 |
19288 |
762.0 |
-6.6 |
0.300 |
8 |
3 |
0 |
0.000 |
| 4 |
4 |
|
[HEC]B:1861 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
81 |
24 |
19411 |
550.8 |
-18.2 |
0.370 |
2 |
0 |
0 |
0.224 |
5 |
|
[HEC]A:861 |
43 |
1 |
810 |
f |
A |
x,y,z |
1_555 |
79 |
25 |
19288 |
540.1 |
-17.5 |
0.394 |
2 |
0 |
0 |
0.224 |
| Average: |
545.4 |
-17.9 |
0.382 |
2 |
0 |
0 |
0.224 |
| 5 |
6 |
|
[327]A:864 |
14 |
1 |
388 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
19288 |
196.7 |
3.3 |
0.348 |
3 |
0 |
0 |
0.000 |
7 |
|
[327]B:1864 |
14 |
1 |
385 |
f |
B |
x,y,z |
1_555 |
35 |
14 |
19411 |
194.9 |
3.4 |
0.367 |
3 |
0 |
0 |
0.000 |
| Average: |
195.8 |
3.4 |
0.358 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[MPD]B:867 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
19411 |
164.0 |
-11.1 |
0.550 |
1 |
0 |
0 |
0.069 |
| 7 |
9 |
|
[MPD]A:1866 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
19288 |
160.6 |
-10.9 |
0.597 |
1 |
0 |
0 |
0.068 |
| 8 |
10 |
|
[MPD]A:1867 |
6 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
19288 |
125.2 |
-6.7 |
0.793 |
0 |
0 |
0 |
0.040 |
| 9 |
11 |
|
[327]B:1864 |
11 |
1 |
385 |
f |
[HEC]B:1861 |
x,y,z |
1_555 |
34 |
1 |
822 |
119.5 |
-0.2 |
0.398 |
0 |
0 |
0 |
0.001 |
12 |
|
[327]A:864 |
11 |
1 |
388 |
f |
[HEC]A:861 |
x,y,z |
1_555 |
32 |
1 |
810 |
118.3 |
-0.0 |
0.398 |
0 |
0 |
0 |
0.001 |
| Average: |
118.9 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.001 |
| 10 |
13 |
|
[MPD]A:1867 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
24 |
6 |
19411 |
119.3 |
-7.8 |
0.654 |
1 |
0 |
0 |
0.049 |
| 11 |
14 |
|
[MPD]A:866 |
7 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
19411 |
118.9 |
-6.5 |
0.832 |
1 |
0 |
0 |
0.042 |
| 12 |
15 |
|
[MPD]A:866 |
6 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
27 |
6 |
19288 |
116.9 |
-7.7 |
0.701 |
0 |
0 |
0 |
0.046 |
| 13 |
16 |
|
[CL]B:865 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
19411 |
65.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.110 |
17 |
|
[CL]A:1865 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
19288 |
64.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
65.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.110 |
| 14 |
18 |
|
[MPD]A:1866 |
3 |
1 |
277 |
f |
[HEC]A:861 |
x,y,z |
1_555 |
5 |
1 |
810 |
48.3 |
-3.3 |
0.927 |
0 |
0 |
0 |
0.019 |
| 15 |
19 |
|
[MPD]B:867 |
3 |
1 |
279 |
f |
[HEC]B:1861 |
x,y,z |
1_555 |
5 |
1 |
822 |
44.9 |
-3.0 |
0.935 |
0 |
0 |
0 |
0.018 |
| 16 |
20 |
|
A |
5 |
3 |
19288 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
4 |
19411 |
41.1 |
-0.6 |
0.382 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[ZN]A:862 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19411 |
34.9 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.195 |
22 |
|
[ZN]A:862 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19288 |
34.1 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.195 |
| Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.195 |
| 18 |
23 |
|
[CL]A:1865 |
1 |
1 |
125 |
f |
[327]A:864 |
x,y,z |
1_555 |
1 |
1 |
388 |
29.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
24 |
|
[CL]B:865 |
1 |
1 |
125 |
f |
[327]B:1864 |
x,y,z |
1_555 |
1 |
1 |
385 |
28.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
28.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
|