| ## |
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 |
|
D |
91 |
21 |
3259 |
◊ |
C |
x,y,z |
1_555 |
83 |
19 |
2079 |
847.0 |
-16.0 |
0.575 |
13 |
2 |
2 |
1.000 |
2 |
|
B |
90 |
22 |
3226 |
◊ |
A |
x,y,z |
1_555 |
81 |
20 |
2034 |
844.0 |
-16.3 |
0.501 |
8 |
2 |
2 |
1.000 |
| Average: |
845.5 |
-16.1 |
0.538 |
11 |
2 |
2 |
1.000 |
| 2 |
3 |
|
D |
60 |
16 |
3259 |
◊ |
B |
x,y,z |
1_555 |
56 |
15 |
3226 |
570.7 |
-8.6 |
0.649 |
4 |
0 |
0 |
1.000 |
| 3 |
4 |
|
B |
58 |
15 |
3226 |
◊ |
D |
-y,x-y,z |
2_555 |
55 |
15 |
3259 |
518.5 |
-8.9 |
0.555 |
2 |
0 |
0 |
1.000 |
| 4 |
5 |
|
A |
19 |
5 |
2034 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
17 |
4 |
2079 |
145.4 |
-0.5 |
0.847 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
13 |
3 |
3226 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
20 |
6 |
2079 |
143.0 |
-1.8 |
0.494 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
18 |
3 |
2034 |
◊ |
D |
-y,x-y,z |
2_555 |
14 |
3 |
3259 |
137.1 |
-2.5 |
0.496 |
1 |
1 |
0 |
0.083 |
8 |
|
B |
12 |
3 |
3226 |
◊ |
C |
-y,x-y,z |
2_555 |
18 |
4 |
2079 |
128.2 |
-3.0 |
0.314 |
0 |
1 |
0 |
0.083 |
| Average: |
132.7 |
-2.8 |
0.405 |
1 |
1 |
0 |
0.083 |
| 7 |
9 |
|
D |
9 |
2 |
3259 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
4 |
2034 |
98.0 |
-0.4 |
0.731 |
2 |
2 |
0 |
0.000 |
10 |
|
C |
2 |
1 |
2079 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
3226 |
17.3 |
0.8 |
0.889 |
0 |
0 |
0 |
0.000 |
| Average: |
57.6 |
0.2 |
0.810 |
1 |
1 |
0 |
0.000 |
| 8 |
11 |
|
B |
10 |
3 |
3226 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
8 |
4 |
2079 |
82.6 |
-0.1 |
0.771 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
3 |
2 |
2034 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
3 |
1 |
3259 |
22.8 |
1.1 |
0.896 |
0 |
0 |
0 |
0.000 |
| Average: |
52.7 |
0.5 |
0.834 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
A |
8 |
3 |
2034 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
5 |
2 |
2079 |
80.6 |
-2.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
D |
4 |
2 |
3259 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
3 |
3226 |
58.6 |
1.4 |
0.903 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
B |
3 |
1 |
3226 |
x |
B |
-y,x-y,z |
2_555 |
5 |
2 |
3226 |
50.7 |
-0.3 |
0.639 |
0 |
0 |
0 |
0.012 |
16 |
|
D |
5 |
2 |
3259 |
x |
D |
-y,x-y,z |
2_555 |
3 |
1 |
3259 |
44.6 |
-0.0 |
0.722 |
0 |
0 |
0 |
0.012 |
| Average: |
47.7 |
-0.2 |
0.681 |
0 |
0 |
0 |
0.012 |
| 12 |
17 |
|
B |
6 |
1 |
3226 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
6 |
1 |
3259 |
48.2 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
A |
6 |
2 |
2034 |
◊ |
C |
-y,x-y,z |
2_555 |
4 |
2 |
2079 |
45.0 |
-0.4 |
0.574 |
1 |
0 |
0 |
0.012 |
| 14 |
19 |
|
B |
6 |
4 |
3226 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2079 |
44.6 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
4 |
3 |
3259 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2034 |
36.6 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| Average: |
40.6 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
3 |
2 |
3226 |
37.2 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.706 |
22 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
3 |
1 |
3259 |
28.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.706 |
| Average: |
32.6 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.706 |
| 16 |
23 |
|
[ZN]D:101 |
1 |
1 |
98 |
fx |
[ZN]D:101 |
-y,x-y,z |
2_555 |
1 |
1 |
98 |
36.9 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.342 |
| 17 |
24 |
|
A |
6 |
3 |
2034 |
x |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
2034 |
31.4 |
0.1 |
0.762 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
C |
4 |
2 |
2079 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
2034 |
30.3 |
-0.3 |
0.609 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[CL]D:102 |
1 |
1 |
125 |
fx |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.172 |
| 20 |
27 |
|
B |
1 |
1 |
3226 |
◊ |
D |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
1 |
1 |
3259 |
27.5 |
0.3 |
0.402 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3259 |
27.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.111 |
29 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3226 |
24.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
26.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.111 |
| 22 |
30 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.171 |
| 23 |
31 |
|
C |
7 |
3 |
2079 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
3259 |
16.4 |
0.1 |
0.785 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
1 |
1 |
3226 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
2034 |
0.3 |
-0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
| Average: |
8.4 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
D |
1 |
1 |
3259 |
◊ |
B |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
2 |
1 |
3226 |
12.6 |
-0.1 |
0.498 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
A |
3 |
1 |
2034 |
◊ |
D |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
3 |
1 |
3259 |
4.2 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
A |
1 |
1 |
2034 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
3226 |
1.1 |
0.0 |
0.729 |
0 |
0 |
0 |
0.000 |
|