| ## |
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 |
191 |
48 |
15402 |
◊ |
C |
x,y,z |
1_555 |
189 |
49 |
15502 |
1737.0 |
-33.6 |
0.003 |
24 |
0 |
0 |
0.305 |
2 |
|
B |
188 |
46 |
15774 |
◊ |
A |
x,y,z |
1_555 |
191 |
47 |
15551 |
1726.5 |
-34.0 |
0.003 |
26 |
0 |
0 |
0.305 |
| Average: |
1731.7 |
-33.8 |
0.003 |
25 |
0 |
0 |
0.305 |
| 2 |
3 |
|
D |
110 |
30 |
15402 |
◊ |
A |
x,y,z |
1_555 |
109 |
30 |
15551 |
1031.0 |
-11.0 |
0.230 |
12 |
0 |
0 |
0.137 |
4 |
|
C |
105 |
30 |
15502 |
◊ |
B |
x,y,z |
1_555 |
107 |
29 |
15774 |
1010.9 |
-10.4 |
0.261 |
12 |
0 |
0 |
0.137 |
| Average: |
1020.9 |
-10.7 |
0.245 |
12 |
0 |
0 |
0.137 |
| 3 |
5 |
|
D |
80 |
18 |
15402 |
◊ |
B |
x,y,z |
1_555 |
81 |
19 |
15774 |
774.2 |
-10.6 |
0.147 |
14 |
8 |
0 |
0.152 |
6 |
|
C |
80 |
19 |
15502 |
◊ |
A |
x,y,z |
1_555 |
77 |
19 |
15551 |
768.9 |
-11.0 |
0.118 |
14 |
8 |
0 |
0.152 |
| Average: |
771.6 |
-10.8 |
0.133 |
14 |
8 |
0 |
0.152 |
| 4 |
7 |
|
[NDP]B:352 |
45 |
1 |
956 |
f |
B |
x,y,z |
1_555 |
99 |
40 |
15774 |
688.8 |
-6.4 |
0.371 |
12 |
0 |
0 |
0.203 |
8 |
|
[NDP]D:352 |
47 |
1 |
955 |
f |
D |
x,y,z |
1_555 |
99 |
41 |
15402 |
682.1 |
-5.7 |
0.430 |
16 |
0 |
0 |
0.203 |
9 |
|
[NDP]C:352 |
46 |
1 |
951 |
f |
C |
x,y,z |
1_555 |
93 |
39 |
15502 |
672.0 |
-4.7 |
0.490 |
17 |
0 |
0 |
0.203 |
10 |
|
[NDP]A:352 |
46 |
1 |
947 |
f |
A |
x,y,z |
1_555 |
89 |
39 |
15551 |
649.1 |
-5.6 |
0.387 |
13 |
0 |
0 |
0.203 |
| Average: |
673.0 |
-5.6 |
0.419 |
15 |
0 |
0 |
0.203 |
| 5 |
11 |
|
A |
35 |
11 |
15551 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
39 |
12 |
15774 |
332.8 |
-1.5 |
0.517 |
4 |
1 |
0 |
0.000 |
| 6 |
12 |
|
C |
32 |
9 |
15502 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
41 |
15 |
15774 |
322.6 |
-2.2 |
0.486 |
2 |
2 |
0 |
0.001 |
| 7 |
13 |
|
C |
27 |
6 |
15502 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
9 |
15774 |
289.2 |
-0.9 |
0.591 |
2 |
1 |
0 |
0.000 |
| 8 |
14 |
|
D |
32 |
12 |
15402 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
32 |
10 |
15774 |
265.7 |
-1.5 |
0.557 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
10 |
3 |
15551 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
3 |
15551 |
91.7 |
-1.0 |
0.412 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
D |
8 |
2 |
15402 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
15502 |
60.4 |
-0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[ZN]C:353 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
15502 |
38.6 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.485 |
18 |
|
[ZN]B:353 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
15774 |
38.3 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.485 |
19 |
|
[ZN]D:353 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
15402 |
38.0 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.485 |
20 |
|
[ZN]A:353 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15551 |
37.5 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.485 |
| Average: |
38.1 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.485 |
| 12 |
21 |
|
[NDP]C:352 |
6 |
1 |
951 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15402 |
33.7 |
-0.9 |
0.102 |
0 |
0 |
0 |
0.013 |
22 |
|
[NDP]A:352 |
4 |
1 |
947 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15774 |
31.2 |
-1.0 |
0.092 |
0 |
0 |
0 |
0.013 |
23 |
|
[NDP]D:352 |
4 |
1 |
955 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15502 |
31.2 |
-1.0 |
0.088 |
0 |
0 |
0 |
0.013 |
24 |
|
[NDP]B:352 |
6 |
1 |
956 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15551 |
28.2 |
-0.8 |
0.142 |
0 |
0 |
0 |
0.013 |
| Average: |
31.1 |
-0.9 |
0.106 |
0 |
0 |
0 |
0.013 |
| 13 |
25 |
|
[NDP]C:352 |
6 |
1 |
951 |
f |
[ZN]C:353 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.193 |
26 |
|
[NDP]D:352 |
5 |
1 |
955 |
f |
[ZN]D:353 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.193 |
27 |
|
[NDP]A:352 |
5 |
1 |
947 |
f |
[ZN]A:353 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.193 |
28 |
|
[NDP]B:352 |
4 |
1 |
956 |
f |
[ZN]B:353 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.193 |
| Average: |
25.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.193 |
| 14 |
29 |
|
[NDP]C:352 |
1 |
1 |
951 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15774 |
24.6 |
0.1 |
0.481 |
0 |
0 |
0 |
0.000 |
|