| ## |
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 |
45 |
16 |
11333 |
x |
B |
-x-2,y-1/2,-z-2 |
2_343 |
54 |
21 |
11333 |
399.4 |
2.5 |
0.864 |
7 |
0 |
0 |
0.000 |
2 |
|
A |
44 |
15 |
11450 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
55 |
22 |
11450 |
397.7 |
1.7 |
0.837 |
6 |
0 |
0 |
0.000 |
| Average: |
398.6 |
2.1 |
0.851 |
7 |
0 |
0 |
0.000 |
| 2 |
3 |
|
A |
24 |
10 |
11450 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
26 |
8 |
11450 |
230.3 |
2.1 |
0.888 |
2 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
23 |
8 |
11333 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
25 |
8 |
11450 |
191.8 |
1.4 |
0.818 |
5 |
0 |
0 |
0.000 |
5 |
|
A |
20 |
6 |
11450 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
8 |
11333 |
174.1 |
1.2 |
0.804 |
6 |
0 |
0 |
0.000 |
| Average: |
182.9 |
1.3 |
0.811 |
6 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[MRD]B:311 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
11333 |
182.8 |
3.3 |
0.610 |
2 |
0 |
0 |
0.000 |
7 |
|
[MRD]A:310 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
11450 |
182.0 |
3.0 |
0.562 |
2 |
0 |
0 |
0.000 |
| Average: |
182.4 |
3.2 |
0.586 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[MPD]B:310 |
7 |
1 |
278 |
◊ |
B |
-x-2,y-1/2,-z-2 |
2_343 |
24 |
10 |
11333 |
157.7 |
-8.7 |
0.851 |
1 |
0 |
0 |
0.000 |
9 |
|
[MPD]A:311 |
7 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
11450 |
142.7 |
-7.3 |
0.849 |
1 |
0 |
0 |
0.000 |
| Average: |
150.2 |
-8.0 |
0.850 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
16 |
7 |
11333 |
x |
B |
-x-1,y-1/2,-z-2 |
2_443 |
12 |
5 |
11333 |
140.5 |
0.6 |
0.771 |
3 |
2 |
0 |
0.000 |
| 7 |
11 |
|
A |
9 |
3 |
11450 |
◊ |
B |
-x-1,y-1/2,-z-2 |
2_443 |
16 |
5 |
11333 |
113.0 |
-1.2 |
0.307 |
1 |
0 |
0 |
0.000 |
12 |
|
B |
11 |
3 |
11333 |
◊ |
A |
-x-1,y-1/2,-z-2 |
2_443 |
16 |
5 |
11450 |
111.3 |
-1.4 |
0.305 |
0 |
0 |
0 |
0.000 |
| Average: |
112.2 |
-1.3 |
0.306 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[MRD]A:312 |
6 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11450 |
108.5 |
1.7 |
0.469 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
B |
15 |
3 |
11333 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
5 |
11450 |
104.3 |
0.3 |
0.675 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
19 |
8 |
11333 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
11450 |
99.1 |
1.0 |
0.803 |
2 |
1 |
0 |
0.000 |
| 11 |
16 |
|
A |
13 |
5 |
11450 |
◊ |
[MRD]A:312 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
275 |
86.5 |
1.0 |
0.449 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[MPD]B:310 |
4 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11333 |
54.8 |
-2.8 |
0.894 |
0 |
0 |
0 |
0.007 |
18 |
|
A |
9 |
3 |
11450 |
f |
[MPD]A:311 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
277 |
50.5 |
-2.2 |
0.900 |
0 |
0 |
0 |
0.007 |
| Average: |
52.7 |
-2.5 |
0.897 |
0 |
0 |
0 |
0.007 |
| 13 |
19 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
11333 |
44.2 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.089 |
20 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
11450 |
43.6 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
43.9 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.089 |
| 14 |
21 |
|
[MPD]A:311 |
4 |
1 |
277 |
◊ |
[MRD]A:312 |
x,y,z |
1_555 |
5 |
1 |
275 |
43.0 |
-1.9 |
0.420 |
2 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[MPD]B:310 |
2 |
1 |
278 |
◊ |
[MRD]B:311 |
-x-2,y-1/2,-z-2 |
2_343 |
3 |
1 |
277 |
24.1 |
-0.6 |
0.583 |
0 |
0 |
0 |
0.000 |
23 |
|
[MPD]A:311 |
2 |
1 |
277 |
◊ |
[MRD]A:310 |
x,y,z |
1_555 |
3 |
1 |
278 |
22.0 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-0.5 |
0.583 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[MRD]B:311 |
2 |
1 |
277 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.015 |
25 |
|
[MRD]A:310 |
2 |
1 |
278 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
13.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 17 |
26 |
|
B |
2 |
1 |
11333 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
11450 |
7.0 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
B |
2 |
1 |
11333 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
1 |
11450 |
6.9 |
-0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[MPD]A:311 |
2 |
1 |
277 |
◊ |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[MPD]B:310 |
1 |
1 |
278 |
◊ |
[ZN]B:402 |
-x-2,y-1/2,-z-2 |
2_343 |
1 |
1 |
98 |
0.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
0.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|