## |
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 |
20 |
9574 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
9457 |
719.9 |
-3.2 |
0.537 |
9 |
2 |
0 |
0.007 |
2 |
2 |
|
B |
43 |
10 |
9574 |
◊ |
A |
-x+5/2,y-1/2,-z+2 |
4_747 |
51 |
14 |
9457 |
425.2 |
-0.1 |
0.687 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
49 |
14 |
9574 |
◊ |
A |
-x+5/2,y-1/2,-z+3 |
4_748 |
45 |
10 |
9457 |
408.9 |
-0.2 |
0.645 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
34 |
10 |
9457 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
33 |
10 |
9457 |
282.9 |
-1.4 |
0.537 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
18 |
6 |
9457 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
8 |
9574 |
186.2 |
-0.3 |
0.583 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
18 |
8 |
9574 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
21 |
6 |
9457 |
177.2 |
-1.3 |
0.462 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
22 |
6 |
9574 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
19 |
6 |
9457 |
167.4 |
0.1 |
0.675 |
4 |
0 |
0 |
0.000 |
8 |
8 |
|
[IMD]A:502 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
9457 |
135.7 |
3.9 |
0.438 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[IMD]B:502 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
9574 |
134.5 |
3.5 |
0.353 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
B |
17 |
7 |
9574 |
◊ |
B |
-x+2,y,-z+2 |
2_757 |
17 |
7 |
9574 |
133.7 |
-1.4 |
0.360 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[PEG]A:505 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
9457 |
118.0 |
1.8 |
0.260 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
A |
14 |
5 |
9457 |
x |
A |
-x+5/2,y-1/2,-z+2 |
4_747 |
10 |
3 |
9457 |
114.7 |
-0.6 |
0.509 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
[IMD]B:506 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
9574 |
84.7 |
2.5 |
0.227 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
B |
11 |
4 |
9574 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
8 |
3 |
9457 |
84.5 |
1.5 |
0.841 |
1 |
0 |
0 |
0.000 |
15 |
15 |
|
[PEG]B:505 |
7 |
1 |
257 |
◊ |
[PEG]B:505 |
-x+2,y,-z+2 |
2_757 |
7 |
1 |
257 |
78.0 |
3.6 |
0.152 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[PEG]B:505 |
6 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
9574 |
76.2 |
1.1 |
0.304 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[PEG]B:505 |
6 |
1 |
257 |
◊ |
B |
-x+2,y,-z+2 |
2_757 |
19 |
6 |
9574 |
67.4 |
1.5 |
0.355 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
[NA]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9574 |
65.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.026 |
19 |
|
[NA]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9457 |
64.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
64.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.026 |
19 |
20 |
|
[NA]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9574 |
64.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.017 |
20 |
21 |
|
[EDO]A:506 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
9457 |
61.7 |
0.9 |
0.756 |
1 |
0 |
0 |
0.000 |
21 |
22 |
|
[FMT]A:504 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9457 |
61.4 |
0.4 |
0.625 |
2 |
0 |
0 |
0.001 |
22 |
23 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9457 |
50.2 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.084 |
24 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9574 |
50.1 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
50.2 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.084 |
23 |
25 |
|
B |
6 |
2 |
9574 |
x |
B |
-x+5/2,y-1/2,-z+3 |
4_748 |
5 |
3 |
9574 |
45.6 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[EDO]A:506 |
2 |
1 |
184 |
◊ |
[PEG]A:505 |
x,y,z |
1_555 |
5 |
1 |
257 |
45.1 |
2.2 |
0.257 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[FMT]A:504 |
3 |
1 |
148 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9574 |
37.0 |
0.2 |
0.449 |
1 |
0 |
0 |
0.000 |
26 |
28 |
|
[NA]B:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9457 |
33.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.004 |
27 |
29 |
|
[PEG]B:505 |
2 |
1 |
257 |
f |
[IMD]B:506 |
x,y,z |
1_555 |
2 |
1 |
198 |
18.7 |
0.4 |
0.128 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[PEG]B:505 |
2 |
1 |
257 |
◊ |
[IMD]B:506 |
-x+2,y,-z+2 |
2_757 |
2 |
1 |
198 |
17.2 |
0.8 |
0.181 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
B |
1 |
1 |
9574 |
◊ |
[PEG]A:505 |
-x+5/2,y-1/2,-z+3 |
4_748 |
2 |
1 |
257 |
9.9 |
0.3 |
0.411 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
B |
1 |
1 |
9574 |
f |
[EDO]A:506 |
-x+5/2,y-1/2,-z+3 |
4_748 |
1 |
1 |
184 |
5.2 |
0.2 |
0.873 |
0 |
0 |
0 |
0.000 |
|