## |
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 |
|
B |
183 |
44 |
11476 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
182 |
44 |
11476 |
1611.2 |
-13.7 |
0.275 |
18 |
6 |
0 |
0.431 |
2 |
|
A |
179 |
45 |
10516 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
181 |
45 |
10516 |
1574.8 |
-15.8 |
0.151 |
18 |
2 |
0 |
0.431 |
Average: |
1593.0 |
-14.7 |
0.213 |
18 |
4 |
0 |
0.431 |
2 |
3 |
|
B |
121 |
32 |
11476 |
◊ |
A |
x,y,z |
1_555 |
115 |
31 |
10516 |
953.1 |
-8.3 |
0.363 |
16 |
0 |
0 |
0.317 |
3 |
4 |
|
B |
106 |
26 |
11476 |
◊ |
B |
x,-y,-z+1 |
4_556 |
106 |
26 |
11476 |
948.8 |
-12.4 |
0.150 |
6 |
0 |
0 |
0.328 |
4 |
5 |
|
[CRK]B:65 |
23 |
1 |
553 |
cf |
B |
x,y,z |
1_555 |
74 |
28 |
11476 |
363.2 |
-4.9 |
0.552 |
6 |
0 |
0 |
0.332 |
6 |
|
[CRK]A:65 |
23 |
1 |
552 |
cf |
A |
x,y,z |
1_555 |
71 |
29 |
10516 |
360.0 |
-4.7 |
0.543 |
6 |
0 |
0 |
0.332 |
Average: |
361.6 |
-4.8 |
0.548 |
6 |
0 |
0 |
0.332 |
5 |
7 |
|
B |
19 |
7 |
11476 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
24 |
4 |
10516 |
176.6 |
-1.2 |
0.518 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
11 |
4 |
10516 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
15 |
5 |
11476 |
112.0 |
1.9 |
0.872 |
2 |
4 |
0 |
0.000 |
7 |
9 |
|
[BME]B:252 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11476 |
108.1 |
-2.1 |
0.258 |
1 |
0 |
0 |
0.109 |
8 |
10 |
|
[BME]A:251 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10516 |
107.1 |
-1.6 |
0.369 |
1 |
0 |
0 |
0.069 |
9 |
11 |
|
[BME]A:253 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10516 |
102.1 |
-1.4 |
0.402 |
3 |
0 |
0 |
0.094 |
10 |
12 |
|
A |
12 |
4 |
10516 |
◊ |
B |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
13 |
3 |
11476 |
101.3 |
-0.7 |
0.487 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[BME]A:252 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10516 |
98.0 |
-2.8 |
0.232 |
2 |
0 |
0 |
0.124 |
12 |
14 |
|
[BME]B:251 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11476 |
92.3 |
-3.2 |
0.209 |
0 |
0 |
0 |
0.138 |
13 |
15 |
|
[BME]B:250 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11476 |
85.8 |
-1.5 |
0.285 |
4 |
0 |
0 |
0.145 |
16 |
|
[BME]A:250 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10516 |
85.6 |
-1.4 |
0.274 |
4 |
0 |
0 |
0.145 |
Average: |
85.7 |
-1.5 |
0.279 |
4 |
0 |
0 |
0.145 |
14 |
17 |
|
[BME]A:250 |
4 |
1 |
207 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
18 |
7 |
10516 |
74.3 |
0.9 |
0.625 |
1 |
0 |
0 |
0.000 |
18 |
|
[BME]B:250 |
4 |
1 |
206 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
19 |
7 |
11476 |
73.9 |
0.9 |
0.639 |
1 |
0 |
0 |
0.000 |
Average: |
74.1 |
0.9 |
0.632 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
B |
7 |
3 |
11476 |
◊ |
A |
-x+3/2,y-1/2,-z+3/2 |
7_646 |
5 |
2 |
10516 |
50.0 |
-0.2 |
0.421 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[NH2]B:240 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
12 |
7 |
11476 |
49.3 |
0.7 |
0.741 |
0 |
0 |
0 |
0.000 |
21 |
|
[NH2]A:240 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
11 |
7 |
10516 |
49.3 |
0.7 |
0.730 |
0 |
0 |
0 |
0.000 |
Average: |
49.3 |
0.7 |
0.736 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
B |
4 |
3 |
11476 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
6 |
4 |
10516 |
41.4 |
1.3 |
0.869 |
1 |
1 |
0 |
0.000 |
18 |
23 |
|
A |
5 |
2 |
10516 |
x |
A |
-x+1,-y+1,z-1/2 |
2_664 |
3 |
1 |
10516 |
38.0 |
0.7 |
0.824 |
1 |
1 |
0 |
0.000 |
19 |
24 |
|
A |
9 |
7 |
10516 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
9 |
7 |
10516 |
38.0 |
-0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[NH2]A:240 |
1 |
1 |
117 |
f |
[CRK]A:65 |
x,y,z |
1_555 |
8 |
1 |
552 |
35.0 |
0.5 |
0.904 |
0 |
0 |
0 |
0.000 |
26 |
|
[NH2]B:240 |
1 |
1 |
117 |
f |
[CRK]B:65 |
x,y,z |
1_555 |
8 |
1 |
553 |
34.7 |
0.5 |
0.906 |
0 |
0 |
0 |
0.000 |
Average: |
34.9 |
0.5 |
0.905 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
A |
2 |
2 |
10516 |
◊ |
A |
x,-y+1,-z+2 |
4_567 |
2 |
2 |
10516 |
5.5 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
B |
1 |
1 |
11476 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
1 |
1 |
10516 |
2.2 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[BME]A:253 |
1 |
1 |
206 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
10516 |
1.6 |
0.0 |
0.345 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
A |
1 |
1 |
10516 |
◊ |
[BME]B:251 |
x-1/2,-y+1/2,-z+1 |
8_456 |
1 |
1 |
206 |
1.2 |
0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
|