| ## |
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 |
|
A |
74 |
24 |
15528 |
x |
A |
-y-1,x-y,z-1/3 |
2_454 |
90 |
26 |
15528 |
855.1 |
-9.4 |
0.177 |
6 |
4 |
0 |
0.000 |
2 |
|
B |
75 |
23 |
14107 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
89 |
27 |
14107 |
816.4 |
-9.5 |
0.104 |
6 |
4 |
0 |
0.000 |
3 |
|
C |
48 |
15 |
13704 |
x |
C |
-y,x-y+1,z-1/3 |
2_564 |
52 |
18 |
13704 |
491.2 |
-3.2 |
0.294 |
6 |
4 |
0 |
0.000 |
| Average: |
720.9 |
-7.3 |
0.192 |
6 |
4 |
0 |
0.000 |
| 2 |
4 |
|
B |
50 |
14 |
14107 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
15528 |
447.9 |
0.4 |
0.749 |
3 |
1 |
0 |
0.000 |
| 3 |
5 |
|
C |
41 |
15 |
13704 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
15528 |
410.9 |
-3.5 |
0.304 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
35 |
10 |
15528 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
43 |
15 |
14107 |
369.9 |
-3.9 |
0.220 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
C |
45 |
14 |
13704 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
11 |
14107 |
361.8 |
1.2 |
0.737 |
2 |
1 |
0 |
0.000 |
| 6 |
8 |
|
A |
34 |
10 |
15528 |
◊ |
B |
x-1,y-1,z |
1_445 |
41 |
13 |
14107 |
313.1 |
-0.4 |
0.656 |
3 |
2 |
0 |
0.000 |
| 7 |
9 |
|
A |
36 |
14 |
15528 |
◊ |
C |
-y,x-y+1,z-1/3 |
2_564 |
30 |
13 |
13704 |
276.6 |
3.5 |
0.875 |
3 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[SHH]B:301 |
9 |
1 |
312 |
f |
B |
x,y,z |
1_555 |
35 |
14 |
14107 |
201.2 |
3.1 |
0.118 |
1 |
0 |
0 |
0.000 |
11 |
|
[SHH]A:301 |
8 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
15528 |
190.8 |
2.3 |
0.112 |
3 |
0 |
0 |
0.000 |
| Average: |
196.0 |
2.7 |
0.115 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[SHH]C:301 |
8 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
36 |
15 |
13704 |
188.6 |
2.7 |
0.101 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
15 |
6 |
14107 |
◊ |
C |
-y,x-y+1,z-1/3 |
2_564 |
20 |
6 |
13704 |
149.9 |
-0.6 |
0.489 |
1 |
2 |
0 |
0.000 |
| 11 |
14 |
|
A |
12 |
5 |
15528 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
4 |
14107 |
133.3 |
-0.4 |
0.309 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[K]C:202 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
13704 |
119.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
|
[K]B:202 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14107 |
119.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.075 |
17 |
|
[K]A:202 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15528 |
117.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
118.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.075 |
| 13 |
18 |
|
[ZN]C:101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
13704 |
36.5 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.018 |
19 |
|
[ZN]B:101 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14107 |
36.5 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.018 |
20 |
|
[ZN]A:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
15528 |
36.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
36.4 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 14 |
21 |
|
[SHH]C:301 |
4 |
1 |
281 |
f |
[ZN]C:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.009 |
22 |
|
[SHH]A:301 |
4 |
1 |
283 |
f |
[ZN]A:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.009 |
23 |
|
[SHH]B:301 |
4 |
1 |
312 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
31.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 15 |
24 |
|
C |
4 |
2 |
13704 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14107 |
27.6 |
-0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
A |
2 |
1 |
15528 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
13704 |
7.0 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
|