| ## |
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 |
128 |
32 |
8744 |
◊ |
A |
x,y,z |
1_555 |
130 |
32 |
8934 |
1224.1 |
-9.7 |
0.225 |
12 |
16 |
0 |
0.248 |
2 |
|
C |
131 |
34 |
8761 |
◊ |
B |
x,y,z |
1_555 |
128 |
35 |
8914 |
1203.1 |
-10.1 |
0.235 |
14 |
16 |
0 |
0.248 |
| Average: |
1213.6 |
-9.9 |
0.230 |
13 |
16 |
0 |
0.248 |
| 2 |
3 |
|
B |
84 |
22 |
8914 |
◊ |
A |
x,y,z |
1_555 |
84 |
20 |
8934 |
785.7 |
-6.3 |
0.292 |
12 |
2 |
0 |
0.112 |
4 |
|
D |
78 |
19 |
8744 |
◊ |
C |
x,y,z |
1_555 |
73 |
18 |
8761 |
728.9 |
-7.1 |
0.216 |
9 |
2 |
0 |
0.112 |
| Average: |
757.3 |
-6.7 |
0.254 |
11 |
2 |
0 |
0.112 |
| 3 |
5 |
|
D |
66 |
21 |
8744 |
◊ |
C |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
62 |
17 |
8761 |
590.7 |
-2.9 |
0.425 |
4 |
2 |
0 |
0.000 |
| 4 |
6 |
|
A |
57 |
16 |
8934 |
◊ |
B |
-x+1/2,y-1/2,-z+5/4 |
5_546 |
63 |
16 |
8914 |
504.2 |
-1.9 |
0.519 |
3 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
23 |
7 |
8934 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
22 |
8 |
8934 |
205.8 |
-1.4 |
0.404 |
1 |
0 |
0 |
0.000 |
8 |
|
D |
23 |
9 |
8744 |
x |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
20 |
7 |
8744 |
191.8 |
-0.7 |
0.454 |
2 |
0 |
0 |
0.000 |
| Average: |
198.8 |
-1.0 |
0.429 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[GOL]A:184 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
8934 |
131.5 |
0.0 |
0.620 |
7 |
0 |
0 |
0.030 |
| 7 |
10 |
|
[GOL]C:184 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
8761 |
126.1 |
-0.1 |
0.586 |
8 |
0 |
0 |
0.048 |
| 8 |
11 |
|
[BME]D:188 |
4 |
1 |
203 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
8744 |
116.3 |
-0.7 |
0.282 |
1 |
0 |
0 |
0.023 |
12 |
|
[BME]A:187 |
4 |
1 |
204 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8934 |
110.3 |
-0.8 |
0.292 |
1 |
0 |
0 |
0.023 |
| Average: |
113.3 |
-0.7 |
0.287 |
1 |
0 |
0 |
0.023 |
| 9 |
13 |
|
[SO4]D:186 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
8744 |
114.3 |
-18.5 |
0.681 |
10 |
0 |
0 |
0.221 |
| 10 |
14 |
|
[SO4]B:185 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
8914 |
109.7 |
-17.1 |
0.671 |
8 |
0 |
0 |
0.274 |
| 11 |
15 |
|
[BME]B:186 |
4 |
1 |
202 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8914 |
107.8 |
-0.6 |
0.261 |
0 |
0 |
0 |
0.008 |
| 12 |
16 |
|
A |
14 |
4 |
8934 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
14 |
5 |
8744 |
104.0 |
0.2 |
0.643 |
2 |
4 |
0 |
0.012 |
| 13 |
17 |
|
[BME]C:186 |
4 |
1 |
203 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
8761 |
102.3 |
-1.4 |
0.227 |
1 |
0 |
0 |
0.024 |
| 14 |
18 |
|
[SO4]D:187 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
8744 |
93.5 |
-11.3 |
0.867 |
3 |
0 |
0 |
0.122 |
| 15 |
19 |
|
[SO4]B:184 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8914 |
86.8 |
-13.6 |
0.666 |
4 |
0 |
0 |
0.204 |
| 16 |
20 |
|
[SO4]D:184 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
8744 |
86.3 |
-13.5 |
0.664 |
4 |
0 |
0 |
0.147 |
| 17 |
21 |
|
[SO4]A:185 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8934 |
84.4 |
-13.3 |
0.669 |
4 |
0 |
0 |
0.145 |
| 18 |
22 |
|
[SO4]C:185 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
8761 |
83.9 |
-12.8 |
0.708 |
4 |
0 |
0 |
0.193 |
| 19 |
23 |
|
[SO4]A:186 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8934 |
72.6 |
-9.6 |
0.772 |
2 |
0 |
0 |
0.101 |
| 20 |
24 |
|
[SO4]D:185 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
8744 |
64.2 |
-8.5 |
0.724 |
1 |
0 |
0 |
0.086 |
| 21 |
25 |
|
A |
8 |
3 |
8934 |
◊ |
[SO4]D:185 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
1 |
184 |
48.4 |
-5.2 |
0.904 |
2 |
0 |
0 |
0.059 |
| 22 |
26 |
|
[SO4]A:186 |
4 |
1 |
184 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
6 |
3 |
8744 |
45.3 |
-4.4 |
0.925 |
2 |
0 |
0 |
0.051 |
| 23 |
27 |
|
B |
4 |
3 |
8914 |
◊ |
C |
-y+3/2,x+1/2,z+1/4 |
3_655 |
5 |
2 |
8761 |
33.2 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[SO4]A:186 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8744 |
9.1 |
-1.3 |
0.564 |
0 |
0 |
0 |
0.012 |
| 25 |
29 |
|
[BME]D:188 |
2 |
1 |
203 |
f |
[SO4]D:187 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.8 |
-0.4 |
0.661 |
0 |
0 |
0 |
0.003 |
| 26 |
30 |
|
D |
1 |
1 |
8744 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8914 |
0.9 |
-0.0 |
0.527 |
0 |
0 |
0 |
0.000 |
|