## |
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 |
163 |
46 |
16742 |
◊ |
B |
x-y,-y,-z |
5_555 |
163 |
46 |
16742 |
1513.0 |
-6.6 |
0.466 |
12 |
0 |
0 |
0.042 |
2 |
2 |
|
B |
151 |
44 |
16742 |
◊ |
A |
x,y,z |
1_555 |
156 |
44 |
16256 |
1510.8 |
-10.4 |
0.271 |
18 |
0 |
0 |
0.066 |
3 |
3 |
|
B |
63 |
19 |
16742 |
◊ |
A |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
51 |
17 |
16256 |
597.8 |
-9.8 |
0.040 |
4 |
0 |
0 |
0.044 |
4 |
4 |
|
B |
51 |
16 |
16742 |
◊ |
A |
x-y,-y,-z |
5_555 |
57 |
19 |
16256 |
490.8 |
-1.1 |
0.443 |
3 |
0 |
0 |
0.008 |
5 |
5 |
|
A |
40 |
12 |
16256 |
x |
A |
-y,x-y,z |
2_555 |
39 |
11 |
16256 |
354.8 |
0.2 |
0.691 |
3 |
3 |
0 |
0.000 |
6 |
6 |
|
B |
36 |
11 |
16742 |
◊ |
B |
y+1/3,x-1/3,-z-1/3 |
16_544 |
37 |
11 |
16742 |
343.5 |
1.1 |
0.755 |
4 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
35 |
11 |
16742 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
35 |
11 |
16742 |
343.2 |
-0.6 |
0.587 |
4 |
0 |
0 |
0.004 |
8 |
8 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
16742 |
77.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.091 |
9 |
|
[CL]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
16256 |
74.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
75.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.091 |
9 |
10 |
|
[CL]A:508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
16256 |
70.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.073 |
11 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
16742 |
62.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
66.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.073 |
10 |
12 |
|
[CL]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16256 |
69.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.085 |
13 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16742 |
69.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
69.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.085 |
11 |
14 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
16256 |
68.6 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.039 |
12 |
15 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16256 |
68.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.090 |
16 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
16742 |
65.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
66.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.090 |
13 |
17 |
|
[NA]A:509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16256 |
64.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.061 |
18 |
|
[NA]B:510 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16742 |
57.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
61.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.061 |
14 |
19 |
|
[CL]B:509 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16742 |
63.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.055 |
15 |
20 |
|
[CL]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16742 |
62.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.060 |
16 |
21 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16256 |
61.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.065 |
22 |
|
[CL]B:508 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16742 |
60.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
61.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.065 |
17 |
23 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
16742 |
61.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.061 |
18 |
24 |
|
[NA]B:511 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
16742 |
59.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.057 |
19 |
25 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
16742 |
50.6 |
-39.7 |
0.000 |
0 |
0 |
0 |
0.300 |
26 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
16256 |
50.2 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.300 |
Average: |
50.4 |
-39.5 |
0.000 |
0 |
0 |
0 |
0.300 |
20 |
27 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
16256 |
44.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.020 |
21 |
28 |
|
[CL]A:505 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
16742 |
42.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.019 |
22 |
29 |
|
[CL]B:504 |
1 |
1 |
125 |
◊ |
B |
x-y,-y,-z |
5_555 |
4 |
3 |
16742 |
33.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
30 |
|
A |
3 |
1 |
16256 |
◊ |
A |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
3 |
1 |
16256 |
30.0 |
0.8 |
0.867 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[CL]B:509 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16256 |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.009 |
25 |
32 |
|
[CL]A:505 |
1 |
1 |
125 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
2 |
1 |
16742 |
25.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.008 |
26 |
33 |
|
[NA]B:510 |
1 |
1 |
125 |
◊ |
B |
y+1/3,x-1/3,-z-1/3 |
16_544 |
4 |
2 |
16742 |
22.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[NA]B:510 |
1 |
1 |
125 |
◊ |
[NA]B:510 |
y+1/3,x-1/3,-z-1/3 |
16_544 |
1 |
1 |
125 |
22.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[CL]B:502 |
1 |
1 |
125 |
◊ |
A |
x-y,-y,-z |
5_555 |
3 |
2 |
16256 |
8.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
|