| ## |
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 |
103 |
33 |
9303 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
115 |
35 |
9091 |
1029.3 |
-11.6 |
0.093 |
6 |
0 |
0 |
0.152 |
| 2 |
2 |
|
B |
46 |
15 |
9091 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
9303 |
400.4 |
-0.9 |
0.552 |
2 |
0 |
0 |
0.000 |
3 |
|
A |
40 |
12 |
9303 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
12 |
9091 |
371.3 |
-1.1 |
0.482 |
2 |
0 |
0 |
0.000 |
| Average: |
385.9 |
-1.0 |
0.517 |
2 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
31 |
10 |
9091 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
10 |
9303 |
320.3 |
-1.2 |
0.483 |
4 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[0R1]B:202 |
9 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
9091 |
166.0 |
-3.8 |
0.429 |
0 |
0 |
0 |
0.081 |
6 |
|
[0R1]A:202 |
9 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
9303 |
164.6 |
-3.8 |
0.424 |
0 |
0 |
0 |
0.081 |
| Average: |
165.3 |
-3.8 |
0.427 |
0 |
0 |
0 |
0.081 |
| 5 |
7 |
|
A |
17 |
5 |
9303 |
◊ |
B |
x-1,y,z+1 |
1_456 |
19 |
6 |
9091 |
160.8 |
0.3 |
0.637 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[HED]B:207 |
7 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
9091 |
130.0 |
-1.6 |
0.314 |
3 |
0 |
0 |
0.032 |
| 7 |
9 |
|
[BME]B:206 |
4 |
1 |
201 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
9091 |
114.3 |
0.7 |
0.573 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[ACT]A:206 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
9303 |
106.9 |
-1.4 |
0.518 |
0 |
0 |
0 |
0.015 |
| 9 |
11 |
|
[BME]A:201 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
9303 |
98.5 |
-1.5 |
0.266 |
3 |
0 |
0 |
0.030 |
| 10 |
12 |
|
[BME]A:207 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
9303 |
95.4 |
-1.0 |
0.347 |
0 |
0 |
0 |
0.011 |
| 11 |
13 |
|
[ACT]B:205 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
9091 |
89.4 |
0.3 |
0.744 |
2 |
0 |
0 |
0.006 |
| 12 |
14 |
|
[BME]B:201 |
3 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9091 |
87.7 |
-1.4 |
0.327 |
1 |
0 |
0 |
0.020 |
| 13 |
15 |
|
[SO4]A:205 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
9303 |
86.5 |
-12.8 |
0.729 |
5 |
0 |
0 |
0.161 |
| 14 |
16 |
|
A |
9 |
3 |
9303 |
◊ |
[HED]B:207 |
x-1,y,z |
1_455 |
6 |
1 |
306 |
82.3 |
1.8 |
0.497 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
A |
11 |
4 |
9303 |
◊ |
[BME]B:201 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
205 |
75.8 |
0.1 |
0.473 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]A:203 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9303 |
75.3 |
-9.4 |
0.947 |
5 |
0 |
0 |
0.124 |
| 17 |
19 |
|
[SO4]B:203 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9091 |
74.5 |
-9.5 |
0.909 |
4 |
0 |
0 |
0.120 |
| 18 |
20 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9303 |
71.3 |
-8.9 |
0.938 |
4 |
0 |
0 |
0.114 |
| 19 |
21 |
|
[SO4]B:204 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
9091 |
70.6 |
-9.8 |
0.734 |
3 |
0 |
0 |
0.118 |
| 20 |
22 |
|
B |
11 |
5 |
9091 |
◊ |
[BME]A:207 |
x,y,z-1 |
1_554 |
4 |
1 |
205 |
67.0 |
0.7 |
0.571 |
2 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[ACT]A:208 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9091 |
61.6 |
1.1 |
0.825 |
2 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[BME]A:201 |
4 |
1 |
206 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
12 |
4 |
9091 |
60.8 |
-0.4 |
0.341 |
0 |
0 |
0 |
0.004 |
| 23 |
25 |
|
B |
5 |
2 |
9091 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
9091 |
49.3 |
-0.4 |
0.399 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[ACT]A:208 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
9303 |
46.5 |
-0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
9091 |
41.1 |
-5.2 |
0.687 |
1 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[SO4]A:204 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9091 |
38.6 |
-3.5 |
0.952 |
2 |
0 |
0 |
0.000 |
| 27 |
29 |
|
B |
5 |
3 |
9091 |
◊ |
[ACT]A:206 |
x,y,z-1 |
1_554 |
3 |
1 |
183 |
29.7 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
B |
2 |
1 |
9091 |
◊ |
[SO4]A:205 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
23.2 |
-1.5 |
0.972 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[ACT]A:208 |
1 |
1 |
181 |
f |
[SO4]B:204 |
x,y,z |
1_555 |
1 |
1 |
184 |
17.4 |
-1.9 |
0.894 |
0 |
0 |
0 |
0.020 |
| 30 |
32 |
|
[SO4]A:204 |
1 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
9303 |
8.6 |
-0.9 |
0.823 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[ACT]A:206 |
1 |
1 |
183 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
9091 |
8.4 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[SO4]B:204 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9303 |
3.4 |
-0.4 |
0.874 |
0 |
0 |
0 |
0.000 |
|