| ## |
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 |
24 |
15713 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
15151 |
730.0 |
1.6 |
0.817 |
8 |
10 |
0 |
0.000 |
| 2 |
2 |
|
A |
73 |
26 |
15151 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
72 |
21 |
15713 |
703.0 |
-7.3 |
0.187 |
8 |
2 |
0 |
0.000 |
3 |
|
A |
69 |
18 |
15151 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
70 |
26 |
15713 |
675.4 |
-8.1 |
0.140 |
8 |
2 |
0 |
0.000 |
| Average: |
689.2 |
-7.7 |
0.163 |
8 |
2 |
0 |
0.000 |
| 3 |
4 |
|
B |
61 |
15 |
15713 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
62 |
17 |
15151 |
553.7 |
-2.6 |
0.505 |
7 |
2 |
0 |
0.000 |
| 4 |
5 |
|
[FKV]B:1006 |
28 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
53 |
20 |
15713 |
353.9 |
3.8 |
0.315 |
11 |
0 |
0 |
0.003 |
6 |
|
[FKV]A:1008 |
26 |
1 |
562 |
f |
A |
x,y,z |
1_555 |
50 |
21 |
15151 |
346.5 |
3.8 |
0.363 |
11 |
0 |
0 |
0.003 |
| Average: |
350.2 |
3.8 |
0.339 |
11 |
0 |
0 |
0.003 |
| 5 |
7 |
|
A |
37 |
11 |
15151 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
35 |
10 |
15713 |
305.0 |
0.6 |
0.721 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]B:1003 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15713 |
91.3 |
0.2 |
0.129 |
0 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:1003 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15151 |
87.5 |
0.1 |
0.072 |
0 |
0 |
0 |
0.000 |
| Average: |
89.4 |
0.2 |
0.100 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[EDO]A:1007 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15151 |
89.2 |
3.3 |
0.626 |
7 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[EDO]A:1006 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15151 |
88.1 |
2.4 |
0.443 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[EDO]A:1004 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15151 |
82.8 |
1.8 |
0.274 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]B:1004 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15713 |
79.8 |
1.8 |
0.252 |
1 |
0 |
0 |
0.000 |
| Average: |
81.3 |
1.8 |
0.263 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]B:1005 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15713 |
78.2 |
1.7 |
0.274 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[EDO]A:1005 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15151 |
74.5 |
1.3 |
0.258 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
10 |
6 |
15713 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
13 |
7 |
15713 |
67.3 |
1.0 |
0.759 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]A:1006 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
15713 |
67.3 |
0.7 |
0.518 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15713 |
52.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.019 |
19 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15151 |
52.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
52.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 15 |
20 |
|
A |
2 |
1 |
15151 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
15151 |
52.1 |
1.8 |
0.897 |
2 |
3 |
0 |
0.000 |
| 16 |
21 |
|
[FKV]B:1006 |
8 |
1 |
563 |
f |
[EDO]B:1003 |
x,y,z |
1_555 |
4 |
1 |
186 |
47.7 |
1.7 |
0.391 |
2 |
0 |
0 |
0.000 |
22 |
|
[FKV]A:1008 |
8 |
1 |
562 |
f |
[EDO]A:1003 |
x,y,z |
1_555 |
4 |
1 |
184 |
46.7 |
1.7 |
0.359 |
2 |
0 |
0 |
0.000 |
| Average: |
47.2 |
1.7 |
0.375 |
2 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15713 |
42.8 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.078 |
24 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15151 |
42.4 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
42.6 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.078 |
| 18 |
25 |
|
[FKV]B:1006 |
9 |
1 |
563 |
f |
[EDO]B:1005 |
x,y,z |
1_555 |
4 |
1 |
184 |
40.4 |
2.1 |
0.307 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[FKV]A:1008 |
9 |
1 |
562 |
f |
[EDO]A:1005 |
x,y,z |
1_555 |
3 |
1 |
184 |
39.0 |
2.2 |
0.112 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
B |
5 |
1 |
15713 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
3 |
15151 |
33.3 |
-0.5 |
0.305 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[EDO]B:1004 |
4 |
1 |
184 |
f |
[EDO]B:1003 |
x,y,z |
1_555 |
3 |
1 |
186 |
31.2 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[EDO]A:1004 |
4 |
1 |
184 |
f |
[EDO]A:1003 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.2 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[EDO]A:1005 |
2 |
1 |
184 |
f |
[EDO]A:1004 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.2 |
0.9 |
1.000 |
2 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[EDO]B:1005 |
2 |
1 |
184 |
f |
[EDO]B:1004 |
x,y,z |
1_555 |
4 |
1 |
184 |
28.3 |
0.8 |
1.000 |
2 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[FKV]A:1008 |
4 |
1 |
562 |
f |
[EDO]A:1007 |
x,y,z |
1_555 |
2 |
1 |
185 |
22.9 |
0.7 |
0.467 |
2 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[EDO]A:1005 |
2 |
1 |
184 |
f |
[EDO]A:1003 |
x,y,z |
1_555 |
2 |
1 |
184 |
22.1 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
B |
3 |
2 |
15713 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
15713 |
21.4 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[FKV]B:1006 |
6 |
1 |
563 |
f |
[EDO]B:1004 |
x,y,z |
1_555 |
2 |
1 |
184 |
20.5 |
0.4 |
0.284 |
0 |
0 |
0 |
0.000 |
36 |
|
[FKV]A:1008 |
4 |
1 |
562 |
f |
[EDO]A:1004 |
x,y,z |
1_555 |
2 |
1 |
184 |
19.1 |
0.4 |
0.343 |
0 |
0 |
0 |
0.000 |
| Average: |
19.8 |
0.4 |
0.314 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
B |
2 |
1 |
15713 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
15151 |
19.8 |
-0.4 |
0.322 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[EDO]B:1005 |
3 |
1 |
184 |
f |
[EDO]B:1003 |
x,y,z |
1_555 |
2 |
1 |
186 |
18.6 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
B |
3 |
2 |
15713 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
15151 |
14.6 |
-0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
A |
1 |
1 |
15151 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
15151 |
12.9 |
0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[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 |
0.013 |
| 34 |
42 |
|
[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 |
0.013 |
| 35 |
43 |
|
[FKV]A:1008 |
2 |
1 |
562 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
44 |
|
[FKV]B:1006 |
2 |
1 |
563 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
6.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 36 |
45 |
|
[FKV]A:1008 |
2 |
1 |
562 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.006 |
46 |
|
[FKV]B:1006 |
2 |
1 |
563 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
6.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 37 |
47 |
|
[EDO]B:1005 |
2 |
1 |
184 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 38 |
48 |
|
[EDO]A:1005 |
1 |
1 |
184 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
|