| ## |
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 |
75 |
23 |
14131 |
◊ |
A |
x,y,z |
1_555 |
83 |
22 |
14636 |
727.9 |
-3.9 |
0.511 |
17 |
9 |
0 |
0.000 |
| 2 |
2 |
|
A |
38 |
12 |
14636 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
47 |
13 |
14131 |
393.8 |
0.8 |
0.766 |
6 |
7 |
0 |
0.000 |
| 3 |
3 |
|
B |
41 |
14 |
14131 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
45 |
14 |
14636 |
383.7 |
-0.9 |
0.611 |
5 |
2 |
0 |
0.000 |
| 4 |
4 |
|
[AH6]B:503 |
17 |
1 |
433 |
f |
B |
x,y,z |
1_555 |
45 |
18 |
14131 |
296.9 |
1.1 |
0.359 |
2 |
0 |
0 |
0.000 |
5 |
|
[AH6]A:504 |
17 |
1 |
427 |
f |
A |
x,y,z |
1_555 |
43 |
18 |
14636 |
294.8 |
0.5 |
0.290 |
2 |
0 |
0 |
0.000 |
| Average: |
295.8 |
0.8 |
0.324 |
2 |
0 |
0 |
0.001 |
| 5 |
6 |
|
A |
20 |
8 |
14636 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
9 |
14131 |
213.2 |
1.5 |
0.828 |
2 |
4 |
0 |
0.000 |
| 6 |
7 |
|
A |
18 |
5 |
14636 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
9 |
14636 |
192.2 |
0.8 |
0.762 |
2 |
1 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]A:508 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14636 |
112.3 |
3.6 |
0.635 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:510 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
14636 |
111.6 |
3.3 |
0.432 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]B:508 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
14131 |
110.6 |
3.4 |
0.504 |
5 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
14131 |
108.4 |
2.6 |
0.336 |
1 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:507 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14636 |
107.7 |
2.7 |
0.344 |
1 |
0 |
0 |
0.000 |
| Average: |
108.0 |
2.7 |
0.340 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:509 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
14636 |
103.4 |
3.8 |
0.493 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
14 |
7 |
14636 |
◊ |
[EDO]B:506 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
183 |
101.2 |
3.9 |
0.542 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
A |
8 |
4 |
14636 |
x |
A |
x-1,y,z |
1_455 |
11 |
6 |
14636 |
95.3 |
-1.6 |
0.271 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]B:505 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14131 |
85.2 |
3.0 |
0.311 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]A:506 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
14636 |
84.9 |
2.3 |
0.400 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
A |
9 |
3 |
14636 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
14131 |
79.8 |
-0.8 |
0.443 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]A:505 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
14636 |
79.1 |
2.3 |
0.262 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]B:507 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
14131 |
76.5 |
1.9 |
0.419 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14636 |
59.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.022 |
22 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
14131 |
59.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
59.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 20 |
23 |
|
A |
7 |
4 |
14636 |
f |
[EDO]B:507 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
183 |
55.2 |
1.3 |
0.851 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]A:506 |
4 |
1 |
181 |
f |
B |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
14131 |
53.1 |
1.5 |
0.832 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14636 |
46.2 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.085 |
26 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14131 |
45.8 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
46.0 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.085 |
| 23 |
27 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14636 |
45.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| 24 |
28 |
|
[EDO]B:505 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14636 |
44.2 |
1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]A:505 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14131 |
38.3 |
1.1 |
0.532 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[EDO]B:506 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14131 |
35.8 |
0.4 |
0.392 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
A |
5 |
2 |
14636 |
f |
[EDO]B:508 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
185 |
35.4 |
1.1 |
0.870 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
4 |
1 |
14131 |
◊ |
[MG]A:502 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
32.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[EDO]A:507 |
3 |
1 |
183 |
f |
[AH6]A:504 |
x,y,z |
1_555 |
2 |
1 |
427 |
19.8 |
0.8 |
0.620 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]B:504 |
3 |
1 |
183 |
f |
[AH6]B:503 |
x,y,z |
1_555 |
2 |
1 |
433 |
19.6 |
0.8 |
0.620 |
0 |
0 |
0 |
0.000 |
| Average: |
19.7 |
0.8 |
0.620 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| 31 |
36 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.018 |
|