## |
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 |
205 |
54 |
16202 |
◊ |
C |
x,y,z |
1_555 |
222 |
51 |
17605 |
2116.9 |
-20.2 |
0.062 |
20 |
11 |
0 |
0.316 |
2 |
|
B |
203 |
53 |
16150 |
◊ |
A |
x,y,z |
1_555 |
228 |
53 |
17509 |
2110.1 |
-21.5 |
0.040 |
21 |
10 |
0 |
0.316 |
Average: |
2113.5 |
-20.9 |
0.051 |
21 |
11 |
0 |
0.316 |
2 |
3 |
|
A |
68 |
22 |
17509 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
71 |
22 |
16202 |
623.2 |
3.4 |
0.878 |
4 |
6 |
0 |
0.000 |
4 |
|
B |
58 |
17 |
16150 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
66 |
20 |
17605 |
587.2 |
3.2 |
0.863 |
3 |
4 |
0 |
0.000 |
Average: |
605.2 |
3.3 |
0.871 |
4 |
5 |
0 |
0.000 |
3 |
5 |
|
A |
53 |
18 |
17509 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
59 |
18 |
17509 |
509.8 |
2.7 |
0.835 |
0 |
6 |
0 |
0.000 |
4 |
6 |
|
D |
53 |
15 |
16202 |
◊ |
B |
x,y,z |
1_555 |
55 |
15 |
16150 |
474.7 |
-0.0 |
0.655 |
3 |
8 |
0 |
0.000 |
5 |
7 |
|
C |
47 |
14 |
17605 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
51 |
16 |
17605 |
414.3 |
-1.6 |
0.524 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
36 |
12 |
17509 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
37 |
9 |
17605 |
290.5 |
-0.1 |
0.653 |
3 |
3 |
0 |
0.000 |
9 |
|
A |
39 |
11 |
17509 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
33 |
9 |
17605 |
278.0 |
-1.3 |
0.523 |
0 |
1 |
0 |
0.000 |
Average: |
284.3 |
-0.7 |
0.588 |
2 |
2 |
0 |
0.000 |
7 |
10 |
|
[SF4]A:409 |
8 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
33 |
16 |
17509 |
213.5 |
-21.7 |
0.261 |
0 |
0 |
0 |
0.218 |
11 |
|
[SF4]C:409 |
8 |
1 |
307 |
f |
C |
x,y,z |
1_555 |
31 |
15 |
17605 |
212.2 |
-22.1 |
0.217 |
0 |
0 |
0 |
0.218 |
Average: |
212.9 |
-21.9 |
0.239 |
0 |
0 |
0 |
0.218 |
8 |
12 |
|
[SF4]B:386 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
16150 |
175.9 |
-19.1 |
0.258 |
0 |
0 |
0 |
0.189 |
13 |
|
[SF4]D:386 |
8 |
1 |
307 |
f |
D |
x,y,z |
1_555 |
28 |
15 |
16202 |
175.8 |
-19.1 |
0.254 |
0 |
0 |
0 |
0.189 |
Average: |
175.9 |
-19.1 |
0.256 |
0 |
0 |
0 |
0.189 |
9 |
14 |
|
[SO4]C:410 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
17605 |
129.9 |
-20.1 |
0.511 |
0 |
0 |
0 |
0.199 |
10 |
15 |
|
[SO4]A:410 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
17509 |
125.6 |
-19.9 |
0.522 |
0 |
0 |
0 |
0.195 |
11 |
16 |
|
B |
13 |
5 |
16150 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
6 |
16202 |
122.6 |
-2.7 |
0.129 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
10 |
3 |
17605 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
4 |
16202 |
103.7 |
0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[H2S]B:387 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
16150 |
59.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
19 |
|
[H2S]D:387 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
16202 |
58.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
58.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
14 |
20 |
|
C |
7 |
4 |
17605 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
16202 |
43.4 |
0.8 |
0.780 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
3 |
2 |
16150 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
17509 |
27.8 |
0.4 |
0.723 |
0 |
0 |
0 |
0.000 |
Average: |
35.6 |
0.6 |
0.752 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[H2S]D:387 |
1 |
1 |
133 |
f |
[SF4]D:386 |
x,y,z |
1_555 |
4 |
1 |
307 |
37.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.045 |
23 |
|
[H2S]B:387 |
1 |
1 |
133 |
f |
[SF4]B:386 |
x,y,z |
1_555 |
4 |
1 |
308 |
37.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
37.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.045 |
16 |
24 |
|
D |
3 |
2 |
16202 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
16150 |
32.4 |
-0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
B |
1 |
1 |
16150 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17509 |
9.6 |
0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[SF4]A:409 |
2 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16150 |
8.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
27 |
|
[SF4]C:409 |
2 |
1 |
307 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16202 |
8.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
8.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
19 |
28 |
|
[SF4]B:386 |
1 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17509 |
8.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[SF4]D:386 |
1 |
1 |
307 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17605 |
6.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
20 |
30 |
|
D |
1 |
1 |
16202 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
17509 |
4.8 |
-0.2 |
0.316 |
0 |
0 |
0 |
0.000 |
|