| ## |
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 |
66 |
17 |
2604 |
◊ |
B |
x,y,z |
1_555 |
61 |
17 |
2587 |
578.8 |
-10.4 |
0.878 |
8 |
0 |
0 |
1.000 |
| 2 |
2 |
|
B |
52 |
15 |
2587 |
◊ |
A |
x,y,z |
1_555 |
53 |
13 |
1896 |
545.6 |
-13.0 |
0.434 |
5 |
2 |
2 |
1.000 |
3 |
|
D |
48 |
15 |
2604 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
1992 |
515.7 |
-12.3 |
0.350 |
6 |
2 |
2 |
1.000 |
| Average: |
530.6 |
-12.7 |
0.392 |
6 |
2 |
2 |
1.000 |
| 3 |
4 |
|
C |
20 |
5 |
1992 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
19 |
5 |
1896 |
174.9 |
-0.2 |
0.869 |
1 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
14 |
5 |
2587 |
x |
B |
-y,x-y,z |
2_555 |
14 |
4 |
2587 |
115.5 |
-3.0 |
0.534 |
0 |
0 |
0 |
0.085 |
6 |
|
D |
14 |
4 |
2604 |
x |
D |
-y,x-y,z |
2_555 |
12 |
5 |
2604 |
113.5 |
-3.2 |
0.475 |
0 |
0 |
0 |
0.085 |
| Average: |
114.5 |
-3.1 |
0.504 |
0 |
0 |
0 |
0.085 |
| 5 |
7 |
|
C |
16 |
5 |
1992 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
10 |
2 |
2587 |
106.2 |
-1.3 |
0.620 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
13 |
5 |
1992 |
◊ |
D |
-y,x-y,z |
2_555 |
13 |
3 |
2604 |
92.4 |
-2.1 |
0.648 |
0 |
0 |
0 |
0.033 |
9 |
|
B |
10 |
2 |
2587 |
◊ |
A |
-y,x-y,z |
2_555 |
13 |
5 |
1896 |
86.8 |
-1.8 |
0.610 |
0 |
0 |
0 |
0.033 |
| Average: |
89.6 |
-2.0 |
0.629 |
0 |
0 |
0 |
0.033 |
| 7 |
10 |
|
[IPH]A:101 |
7 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
2587 |
76.3 |
1.5 |
0.009 |
0 |
0 |
0 |
0.000 |
11 |
|
[IPH]C:101 |
7 |
1 |
234 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
2604 |
70.5 |
1.3 |
0.010 |
0 |
0 |
0 |
0.000 |
| Average: |
73.4 |
1.4 |
0.010 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[IPH]A:101 |
5 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
1896 |
75.1 |
1.9 |
0.080 |
2 |
0 |
0 |
0.000 |
13 |
|
[IPH]C:101 |
6 |
1 |
234 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
1992 |
71.7 |
1.8 |
0.027 |
2 |
0 |
0 |
0.000 |
| Average: |
73.4 |
1.8 |
0.053 |
2 |
0 |
0 |
0.000 |
| 9 |
14 |
|
C |
4 |
2 |
1992 |
◊ |
B |
-y,x-y,z |
2_555 |
9 |
2 |
2587 |
65.6 |
-1.7 |
0.337 |
0 |
0 |
0 |
0.058 |
15 |
|
D |
7 |
2 |
2604 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
1 |
1896 |
50.2 |
-1.1 |
0.390 |
0 |
0 |
0 |
0.058 |
| Average: |
57.9 |
-1.4 |
0.364 |
0 |
0 |
0 |
0.058 |
| 10 |
16 |
|
C |
8 |
3 |
1992 |
◊ |
D |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
3 |
1 |
2604 |
59.4 |
-0.4 |
0.427 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
B |
7 |
3 |
2587 |
◊ |
[IPH]A:101 |
-y,x-y,z |
2_555 |
7 |
1 |
235 |
59.1 |
0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
18 |
|
[IPH]C:101 |
7 |
1 |
234 |
◊ |
D |
-y,x-y,z |
2_555 |
6 |
3 |
2604 |
56.4 |
0.6 |
0.647 |
0 |
0 |
0 |
0.000 |
| Average: |
57.8 |
0.6 |
0.654 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
D |
9 |
5 |
2604 |
◊ |
B |
-y,x-y,z |
2_555 |
5 |
2 |
2587 |
57.7 |
-1.8 |
0.465 |
0 |
0 |
0 |
0.038 |
| 13 |
20 |
|
D |
5 |
3 |
2604 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
1896 |
55.1 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
4 |
3 |
2587 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1992 |
23.9 |
0.5 |
0.892 |
0 |
0 |
0 |
0.000 |
| Average: |
39.5 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
2 |
2587 |
49.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.191 |
23 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
6 |
2 |
2604 |
48.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.191 |
| Average: |
49.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.191 |
| 15 |
24 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
8 |
2 |
2587 |
40.5 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.578 |
25 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
7 |
2 |
2604 |
40.1 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.578 |
| Average: |
40.3 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.578 |
| 16 |
26 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.154 |
| 17 |
27 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.156 |
| 18 |
28 |
|
A |
5 |
1 |
1896 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
2 |
2604 |
30.4 |
-0.7 |
0.446 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
2 |
2 |
2587 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
1992 |
13.8 |
-0.2 |
0.560 |
0 |
0 |
0 |
0.000 |
| Average: |
22.1 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
C |
4 |
2 |
1992 |
◊ |
A |
-y,x-y,z |
2_555 |
4 |
2 |
1896 |
21.9 |
-0.7 |
0.502 |
0 |
0 |
0 |
0.014 |
| 20 |
31 |
|
[IPH]C:101 |
2 |
1 |
234 |
f |
B |
-y,x-y,z |
2_555 |
2 |
1 |
2587 |
19.1 |
0.2 |
0.090 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
D |
2 |
1 |
2604 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
2 |
1 |
1896 |
11.5 |
0.5 |
0.834 |
0 |
0 |
0 |
0.000 |
|