| ## |
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 |
69 |
22 |
15663 |
◊ |
A |
x,y,z |
1_555 |
72 |
21 |
15001 |
713.8 |
2.4 |
0.850 |
8 |
9 |
0 |
0.000 |
| 2 |
2 |
|
A |
74 |
28 |
15001 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
71 |
20 |
15663 |
711.7 |
-7.6 |
0.182 |
8 |
2 |
0 |
0.000 |
3 |
|
A |
69 |
18 |
15001 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
68 |
26 |
15663 |
674.6 |
-7.9 |
0.155 |
8 |
2 |
0 |
0.000 |
| Average: |
693.2 |
-7.7 |
0.169 |
8 |
2 |
0 |
0.000 |
| 3 |
4 |
|
B |
64 |
16 |
15663 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
61 |
17 |
15001 |
559.9 |
-2.4 |
0.529 |
5 |
2 |
0 |
0.000 |
| 4 |
5 |
|
[FKJ]B:1003 |
23 |
1 |
520 |
f |
B |
x,y,z |
1_555 |
57 |
21 |
15663 |
340.2 |
2.1 |
0.323 |
5 |
0 |
0 |
0.000 |
6 |
|
[FKJ]A:1003 |
24 |
1 |
524 |
f |
A |
x,y,z |
1_555 |
53 |
21 |
15001 |
334.3 |
2.5 |
0.346 |
6 |
0 |
0 |
0.000 |
| Average: |
337.3 |
2.3 |
0.335 |
6 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
39 |
11 |
15001 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
35 |
10 |
15663 |
314.1 |
0.8 |
0.742 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]B:1008 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
15663 |
98.8 |
1.7 |
0.290 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]A:1007 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15663 |
96.0 |
3.5 |
0.504 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]B:1007 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15663 |
92.2 |
2.7 |
0.284 |
3 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:1008 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
15001 |
90.1 |
2.2 |
0.278 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:1006 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15663 |
89.7 |
0.3 |
0.139 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:1004 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15001 |
88.2 |
0.1 |
0.077 |
0 |
0 |
0 |
0.000 |
| Average: |
89.0 |
0.2 |
0.108 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]A:1009 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15001 |
88.2 |
2.3 |
0.441 |
3 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[EDO]A:1005 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15001 |
82.1 |
1.9 |
0.274 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:1005 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15663 |
79.5 |
1.8 |
0.246 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]B:1004 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15663 |
75.9 |
1.7 |
0.276 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]A:1006 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15001 |
73.6 |
1.3 |
0.257 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
B |
12 |
7 |
15663 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
14 |
7 |
15663 |
70.0 |
0.7 |
0.701 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]A:1009 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
15663 |
67.3 |
0.8 |
0.559 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
A |
3 |
2 |
15001 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
3 |
15001 |
54.4 |
1.9 |
0.895 |
2 |
2 |
0 |
0.000 |
| 19 |
22 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15663 |
52.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.017 |
23 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15001 |
52.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
52.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 20 |
24 |
|
[EDO]A:1007 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15001 |
52.0 |
0.8 |
0.834 |
3 |
0 |
0 |
0.001 |
| 21 |
25 |
|
[EDO]A:1004 |
4 |
1 |
184 |
f |
[FKJ]A:1003 |
x,y,z |
1_555 |
8 |
1 |
524 |
47.8 |
1.7 |
0.430 |
2 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:1006 |
4 |
1 |
185 |
f |
[FKJ]B:1003 |
x,y,z |
1_555 |
8 |
1 |
520 |
47.1 |
1.7 |
0.437 |
2 |
0 |
0 |
0.000 |
| Average: |
47.5 |
1.7 |
0.433 |
2 |
0 |
0 |
0.000 |
| 22 |
27 |
|
A |
8 |
4 |
15001 |
f |
[EDO]B:1007 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
183 |
43.5 |
0.9 |
0.497 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15663 |
42.6 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.081 |
29 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15001 |
42.4 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
42.5 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.081 |
| 24 |
30 |
|
[EDO]B:1004 |
3 |
1 |
184 |
f |
[FKJ]B:1003 |
x,y,z |
1_555 |
9 |
1 |
520 |
40.8 |
2.2 |
0.129 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[EDO]A:1006 |
3 |
1 |
183 |
f |
[FKJ]A:1003 |
x,y,z |
1_555 |
9 |
1 |
524 |
39.5 |
2.2 |
0.134 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
B |
5 |
1 |
15663 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
15001 |
35.4 |
-0.5 |
0.236 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[EDO]B:1006 |
3 |
1 |
185 |
f |
[EDO]B:1005 |
x,y,z |
1_555 |
4 |
1 |
184 |
31.6 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[EDO]A:1005 |
4 |
1 |
184 |
f |
[EDO]A:1004 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.2 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[EDO]A:1006 |
2 |
1 |
183 |
f |
[EDO]A:1005 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.2 |
0.9 |
1.000 |
2 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[EDO]B:1005 |
4 |
1 |
184 |
f |
[EDO]B:1004 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.8 |
0.9 |
1.000 |
2 |
0 |
0 |
0.000 |
| 31 |
37 |
|
B |
3 |
2 |
15663 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
15663 |
24.1 |
0.6 |
0.815 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[EDO]A:1006 |
2 |
1 |
183 |
f |
[EDO]A:1004 |
x,y,z |
1_555 |
2 |
1 |
184 |
22.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[EDO]B:1005 |
2 |
1 |
184 |
f |
[FKJ]B:1003 |
x,y,z |
1_555 |
5 |
1 |
520 |
19.7 |
0.5 |
0.370 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[EDO]B:1006 |
2 |
1 |
185 |
f |
[EDO]B:1004 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.8 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[EDO]A:1005 |
2 |
1 |
184 |
f |
[FKJ]A:1003 |
x,y,z |
1_555 |
4 |
1 |
524 |
17.9 |
0.3 |
0.389 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[EDO]B:1008 |
1 |
1 |
183 |
f |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
15001 |
17.5 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
B |
2 |
1 |
15663 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
15001 |
17.2 |
-0.2 |
0.390 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
B |
3 |
2 |
15663 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
15001 |
16.1 |
-0.2 |
0.408 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
A |
2 |
2 |
15001 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
15001 |
13.0 |
0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| 41 |
47 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| 42 |
48 |
|
[FKJ]A:1003 |
3 |
1 |
524 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.007 |
49 |
|
[FKJ]B:1003 |
3 |
1 |
520 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
7.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 43 |
50 |
|
[EDO]B:1004 |
2 |
1 |
184 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
51 |
|
[EDO]A:1006 |
1 |
1 |
183 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
7.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 44 |
52 |
|
[FKJ]A:1003 |
2 |
1 |
524 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
53 |
|
[FKJ]B:1003 |
2 |
1 |
520 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
6.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
|