| ## |
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 |
95 |
22 |
3258 |
◊ |
A |
x,y,z |
1_555 |
81 |
20 |
2028 |
850.8 |
-16.3 |
0.496 |
9 |
2 |
2 |
1.000 |
2 |
|
D |
91 |
21 |
3243 |
◊ |
C |
x,y,z |
1_555 |
83 |
19 |
2076 |
845.5 |
-15.9 |
0.552 |
13 |
2 |
2 |
1.000 |
| Average: |
848.1 |
-16.1 |
0.524 |
11 |
2 |
2 |
1.000 |
| 2 |
3 |
|
D |
62 |
16 |
3243 |
◊ |
B |
x,y,z |
1_555 |
59 |
15 |
3258 |
581.7 |
-8.9 |
0.611 |
4 |
0 |
0 |
1.000 |
| 3 |
4 |
|
D |
57 |
15 |
3243 |
◊ |
B |
-y,x-y,z |
2_555 |
61 |
14 |
3258 |
507.4 |
-8.3 |
0.591 |
2 |
0 |
0 |
1.000 |
| 4 |
5 |
|
C |
17 |
4 |
2076 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
19 |
5 |
2028 |
148.7 |
-0.5 |
0.855 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
22 |
6 |
2076 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
14 |
3 |
3258 |
146.6 |
-1.2 |
0.634 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
D |
15 |
3 |
3243 |
◊ |
A |
-y,x-y,z |
2_555 |
17 |
3 |
2028 |
137.2 |
-2.6 |
0.484 |
1 |
1 |
0 |
0.091 |
8 |
|
C |
18 |
4 |
2076 |
◊ |
B |
-y,x-y,z |
2_555 |
13 |
3 |
3258 |
130.3 |
-3.0 |
0.333 |
1 |
1 |
0 |
0.091 |
| Average: |
133.7 |
-2.8 |
0.408 |
1 |
1 |
0 |
0.091 |
| 7 |
9 |
|
A |
8 |
3 |
2028 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
2 |
3243 |
90.5 |
-0.4 |
0.728 |
0 |
2 |
0 |
0.000 |
10 |
|
B |
1 |
1 |
3258 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
2076 |
12.7 |
0.6 |
0.898 |
0 |
0 |
0 |
0.000 |
| Average: |
51.6 |
0.1 |
0.813 |
0 |
1 |
0 |
0.000 |
| 8 |
11 |
|
C |
8 |
4 |
2076 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
8 |
3 |
3258 |
82.4 |
-0.0 |
0.773 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
3 |
1 |
3243 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
3 |
2 |
2028 |
24.4 |
1.1 |
0.901 |
0 |
0 |
0 |
0.000 |
| Average: |
53.4 |
0.5 |
0.837 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
C |
6 |
2 |
2076 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
8 |
3 |
2028 |
78.2 |
-2.2 |
0.311 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[CL]B:102 |
1 |
1 |
125 |
fx |
[CL]B:102 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
56.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.139 |
| 11 |
15 |
|
B |
7 |
3 |
3258 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
3243 |
52.0 |
1.5 |
0.889 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
D |
6 |
1 |
3243 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
6 |
1 |
3258 |
49.8 |
-0.0 |
0.737 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
B |
5 |
2 |
3258 |
x |
B |
-y,x-y,z |
2_555 |
3 |
1 |
3258 |
47.9 |
-0.0 |
0.700 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
3 |
1 |
3243 |
x |
D |
-y,x-y,z |
2_555 |
5 |
2 |
3243 |
44.3 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
| Average: |
46.1 |
-0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
B |
6 |
4 |
3258 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2076 |
44.1 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
4 |
3 |
3243 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2028 |
37.2 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
| Average: |
40.6 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
C |
5 |
2 |
2076 |
◊ |
A |
-y,x-y,z |
2_555 |
6 |
2 |
2028 |
44.0 |
-0.5 |
0.575 |
1 |
0 |
0 |
0.013 |
| 16 |
22 |
|
[ZN]D:101 |
1 |
1 |
98 |
fx |
[ZN]D:101 |
-y,x-y,z |
2_555 |
1 |
1 |
98 |
35.1 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.322 |
| 17 |
23 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
3258 |
34.5 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.471 |
24 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
4 |
2 |
3243 |
29.0 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.471 |
| Average: |
31.8 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.471 |
| 18 |
25 |
|
A |
3 |
2 |
2028 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
2076 |
30.1 |
-0.3 |
0.601 |
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 |
29.9 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.169 |
| 20 |
27 |
|
D |
1 |
1 |
3243 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
1 |
1 |
3258 |
28.7 |
0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[CL]B:102 |
1 |
1 |
125 |
fx |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.341 |
| 22 |
29 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3243 |
26.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.098 |
30 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3258 |
20.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
23.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.098 |
| 23 |
31 |
|
A |
3 |
1 |
2028 |
x |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
2 |
2028 |
25.5 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
D |
2 |
1 |
3243 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
3 |
2076 |
16.6 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
1 |
1 |
2028 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
3258 |
0.5 |
-0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
| Average: |
8.6 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
B |
2 |
1 |
3258 |
◊ |
D |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
2 |
1 |
3243 |
14.1 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
B |
1 |
1 |
3258 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
2 |
2028 |
2.9 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
|