| ## |
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 |
108 |
34 |
9233 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
116 |
36 |
9323 |
1065.6 |
-13.2 |
0.092 |
8 |
0 |
0 |
0.175 |
| 2 |
2 |
|
B |
46 |
13 |
9323 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
9233 |
380.5 |
-2.5 |
0.391 |
3 |
0 |
0 |
0.000 |
3 |
|
A |
44 |
13 |
9233 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
13 |
9323 |
372.6 |
-1.2 |
0.562 |
3 |
0 |
0 |
0.000 |
| Average: |
376.6 |
-1.9 |
0.476 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
31 |
10 |
9323 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
10 |
9233 |
319.4 |
-1.0 |
0.555 |
4 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
18 |
6 |
9233 |
◊ |
B |
x-1,y,z+1 |
1_456 |
26 |
8 |
9323 |
204.2 |
1.8 |
0.831 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[BME]A:202 |
4 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
9233 |
135.5 |
-1.1 |
0.373 |
1 |
0 |
0 |
0.033 |
7 |
|
[BME]B:203 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
9323 |
134.7 |
-1.2 |
0.482 |
1 |
0 |
0 |
0.033 |
| Average: |
135.1 |
-1.1 |
0.427 |
1 |
0 |
0 |
0.033 |
| 6 |
8 |
|
[BME]B:207 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
9323 |
112.2 |
-1.5 |
0.399 |
2 |
0 |
0 |
0.024 |
| 7 |
9 |
|
[HED]A:209 |
6 |
1 |
312 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9233 |
109.5 |
0.0 |
0.324 |
2 |
0 |
0 |
0.009 |
| 8 |
10 |
|
[BME]A:206 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
9233 |
108.8 |
-1.0 |
0.378 |
2 |
0 |
0 |
0.019 |
| 9 |
11 |
|
[BME]A:208 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9233 |
103.0 |
-1.7 |
0.379 |
4 |
0 |
0 |
0.036 |
| 10 |
12 |
|
[BME]A:201 |
4 |
1 |
203 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
9233 |
90.6 |
-0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
A |
12 |
4 |
9233 |
◊ |
[BME]B:202 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
206 |
89.7 |
0.6 |
0.551 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[SO4]A:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
9233 |
85.1 |
-12.8 |
0.722 |
4 |
0 |
0 |
0.152 |
| 13 |
15 |
|
[HED]A:209 |
4 |
1 |
312 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
9323 |
84.3 |
2.7 |
0.671 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[BME]B:202 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9323 |
80.9 |
-2.4 |
0.322 |
2 |
0 |
0 |
0.034 |
| 15 |
17 |
|
[ACT]B:206 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
9323 |
78.4 |
0.2 |
0.712 |
2 |
0 |
0 |
0.008 |
| 16 |
18 |
|
[BME]A:201 |
4 |
1 |
203 |
f |
B |
-x+1,y-1/2,-z |
2_645 |
13 |
5 |
9323 |
76.4 |
-1.2 |
0.326 |
1 |
0 |
0 |
0.017 |
| 17 |
19 |
|
[SO4]A:204 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9233 |
75.6 |
-9.4 |
0.932 |
4 |
0 |
0 |
0.116 |
| 18 |
20 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9323 |
75.1 |
-9.6 |
0.934 |
4 |
0 |
0 |
0.118 |
| 19 |
21 |
|
[SO4]A:205 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9233 |
71.6 |
-8.9 |
0.944 |
3 |
0 |
0 |
0.106 |
| 20 |
22 |
|
[SO4]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
9323 |
69.6 |
-9.9 |
0.704 |
2 |
0 |
0 |
0.112 |
| 21 |
23 |
|
[ACT]B:201 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9323 |
63.7 |
0.8 |
0.792 |
2 |
0 |
0 |
0.001 |
| 22 |
24 |
|
[BME]A:207 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
9323 |
58.5 |
1.4 |
0.576 |
1 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[BME]A:207 |
2 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9233 |
55.8 |
-2.4 |
0.386 |
2 |
0 |
0 |
0.034 |
| 24 |
26 |
|
B |
5 |
2 |
9323 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
9323 |
53.2 |
-0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
1 |
1 |
9233 |
x |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9233 |
1.2 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
| Average: |
27.2 |
-0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
B |
7 |
4 |
9323 |
◊ |
[BME]A:206 |
x,y,z-1 |
1_554 |
4 |
1 |
206 |
52.7 |
2.6 |
0.797 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[ACT]B:201 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
9233 |
44.1 |
-0.5 |
0.634 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[SO4]A:204 |
4 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
9323 |
40.2 |
-5.3 |
0.645 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]A:205 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9323 |
33.6 |
-4.1 |
0.298 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
B |
2 |
1 |
9323 |
◊ |
[SO4]A:203 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
21.6 |
-1.3 |
0.975 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[BME]A:208 |
3 |
1 |
206 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
9323 |
16.5 |
0.6 |
0.715 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[ACT]B:201 |
1 |
1 |
183 |
f |
[SO4]B:205 |
x,y,z |
1_555 |
1 |
1 |
184 |
16.4 |
-1.8 |
0.894 |
0 |
0 |
0 |
0.019 |
| 32 |
35 |
|
[SO4]A:205 |
1 |
1 |
184 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
9233 |
12.3 |
-1.3 |
0.829 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[BME]A:208 |
2 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9323 |
12.2 |
0.4 |
0.537 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
A |
1 |
1 |
9233 |
◊ |
[SO4]B:204 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
2.0 |
-0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[SO4]B:205 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9233 |
0.7 |
-0.1 |
0.828 |
0 |
0 |
0 |
0.000 |
|