## |
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 |
89 |
22 |
3250 |
◊ |
A |
x,y,z |
1_555 |
78 |
20 |
2048 |
839.7 |
-16.0 |
0.457 |
11 |
2 |
2 |
1.000 |
2 |
|
D |
91 |
21 |
3315 |
◊ |
C |
x,y,z |
1_555 |
79 |
19 |
2070 |
831.3 |
-16.5 |
0.476 |
12 |
2 |
2 |
1.000 |
Average: |
835.5 |
-16.2 |
0.466 |
12 |
2 |
2 |
1.000 |
2 |
3 |
|
D |
62 |
15 |
3315 |
◊ |
B |
x,y,z |
1_555 |
59 |
15 |
3250 |
578.5 |
-7.8 |
0.701 |
4 |
0 |
0 |
1.000 |
3 |
4 |
|
B |
56 |
15 |
3250 |
◊ |
D |
-y,x-y,z |
2_555 |
55 |
15 |
3315 |
522.6 |
-8.3 |
0.590 |
2 |
0 |
0 |
1.000 |
4 |
5 |
|
A |
19 |
4 |
2048 |
◊ |
D |
-y,x-y,z |
2_555 |
16 |
3 |
3315 |
151.9 |
-3.0 |
0.442 |
1 |
1 |
0 |
0.088 |
6 |
|
B |
15 |
3 |
3250 |
◊ |
C |
-y,x-y,z |
2_555 |
20 |
5 |
2070 |
123.8 |
-2.9 |
0.424 |
0 |
1 |
0 |
0.088 |
Average: |
137.8 |
-3.0 |
0.433 |
1 |
1 |
0 |
0.088 |
5 |
7 |
|
A |
21 |
6 |
2048 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
19 |
6 |
2070 |
150.2 |
-0.6 |
0.838 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
13 |
3 |
3250 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
21 |
6 |
2070 |
141.7 |
-1.4 |
0.576 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
D |
9 |
2 |
3315 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
4 |
2048 |
89.0 |
-0.6 |
0.696 |
1 |
0 |
0 |
0.004 |
10 |
|
C |
1 |
1 |
2070 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
3250 |
12.0 |
0.6 |
0.888 |
0 |
0 |
0 |
0.004 |
Average: |
50.5 |
-0.0 |
0.792 |
1 |
0 |
0 |
0.004 |
8 |
11 |
|
B |
10 |
3 |
3250 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
7 |
4 |
2070 |
85.6 |
-1.0 |
0.610 |
1 |
0 |
0 |
0.012 |
12 |
|
A |
3 |
2 |
2048 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
4 |
1 |
3315 |
22.3 |
0.1 |
0.748 |
0 |
0 |
0 |
0.012 |
Average: |
53.9 |
-0.4 |
0.679 |
1 |
0 |
0 |
0.012 |
9 |
13 |
|
A |
9 |
3 |
2048 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
5 |
2 |
2070 |
78.0 |
-2.3 |
0.270 |
0 |
0 |
0 |
0.020 |
10 |
14 |
|
D |
6 |
2 |
3315 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
3 |
3250 |
64.5 |
1.0 |
0.852 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
3 |
1 |
3250 |
x |
B |
-y,x-y,z |
2_555 |
5 |
2 |
3250 |
48.3 |
-0.0 |
0.715 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
5 |
2 |
3315 |
x |
D |
-y,x-y,z |
2_555 |
3 |
1 |
3315 |
47.7 |
0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
Average: |
48.0 |
-0.0 |
0.720 |
0 |
0 |
0 |
0.001 |
12 |
17 |
|
B |
6 |
1 |
3250 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
6 |
1 |
3315 |
47.8 |
-1.5 |
0.411 |
0 |
0 |
0 |
0.014 |
13 |
18 |
|
A |
6 |
2 |
2048 |
◊ |
C |
-y,x-y,z |
2_555 |
6 |
2 |
2070 |
45.1 |
-0.3 |
0.630 |
1 |
0 |
0 |
0.010 |
14 |
19 |
|
B |
5 |
3 |
3250 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2070 |
39.5 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
6 |
3 |
3315 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2048 |
36.3 |
0.5 |
0.832 |
0 |
0 |
0 |
0.000 |
Average: |
37.9 |
0.3 |
0.785 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
3 |
1 |
3315 |
34.1 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.723 |
22 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
3 |
1 |
3250 |
34.0 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.723 |
Average: |
34.0 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.723 |
16 |
23 |
|
A |
6 |
3 |
2048 |
x |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
1 |
2048 |
33.5 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.211 |
18 |
25 |
|
C |
5 |
2 |
2070 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
2048 |
29.7 |
-0.3 |
0.628 |
0 |
0 |
0 |
0.003 |
19 |
26 |
|
D |
1 |
1 |
3315 |
◊ |
B |
-y-1/3,x-y+1/3,z-2/3 |
5_454 |
3 |
1 |
3250 |
29.2 |
-0.3 |
0.327 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
B |
1 |
1 |
3250 |
◊ |
D |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
1 |
1 |
3315 |
24.4 |
0.6 |
0.421 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.168 |
22 |
29 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3250 |
21.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.115 |
30 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3315 |
19.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
20.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.115 |
23 |
31 |
|
D |
1 |
1 |
3315 |
x |
D |
-x+y-1/3,-x+1/3,z-2/3 |
6_454 |
2 |
1 |
3315 |
9.0 |
0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
D |
1 |
1 |
3315 |
◊ |
C |
-x+y-1/3,-x+1/3,z-2/3 |
6_454 |
1 |
1 |
2070 |
5.9 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
A |
2 |
2 |
2048 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
3250 |
4.3 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
C |
1 |
1 |
2070 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
3315 |
2.1 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
A |
2 |
1 |
2048 |
◊ |
D |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
2 |
1 |
3315 |
1.1 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
|