| ## |
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 |
55 |
15 |
5521 |
x |
A |
-y,x-y-1,z |
2_545 |
60 |
14 |
5521 |
546.1 |
-8.6 |
0.479 |
5 |
1 |
0 |
0.283 |
2 |
|
B |
60 |
14 |
5497 |
x |
B |
-y,x-y-1,z |
2_545 |
51 |
14 |
5497 |
530.1 |
-8.8 |
0.389 |
5 |
1 |
0 |
0.283 |
| Average: |
538.1 |
-8.7 |
0.434 |
5 |
1 |
0 |
0.283 |
| 2 |
3 |
|
B |
31 |
10 |
5497 |
◊ |
A |
-y,x-y-1,z |
2_545 |
31 |
10 |
5521 |
353.4 |
-5.8 |
0.350 |
3 |
0 |
0 |
0.080 |
| 3 |
4 |
|
A |
29 |
9 |
5521 |
◊ |
B |
-x,-y-1,z-1/2 |
4_544 |
30 |
9 |
5497 |
271.1 |
0.2 |
0.855 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[ACT]B:204 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
5497 |
88.5 |
-0.8 |
0.706 |
0 |
0 |
0 |
0.009 |
| 5 |
6 |
|
[ACT]A:203 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
5521 |
86.0 |
-0.9 |
0.646 |
1 |
0 |
0 |
0.015 |
| 6 |
7 |
|
A |
9 |
6 |
5521 |
f |
[ACT]A:201 |
-y,x-y-1,z |
2_545 |
4 |
1 |
184 |
80.9 |
-1.3 |
0.466 |
0 |
0 |
0 |
0.032 |
| 7 |
8 |
|
[ACT]B:202 |
4 |
1 |
183 |
f |
B |
-y,x-y-1,z |
2_545 |
9 |
6 |
5497 |
76.0 |
-1.1 |
0.470 |
0 |
0 |
0 |
0.028 |
| 8 |
9 |
|
[ACT]A:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
6 |
5521 |
73.1 |
-0.7 |
0.606 |
0 |
0 |
0 |
0.019 |
| 9 |
10 |
|
[ACT]B:202 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
7 |
5497 |
72.7 |
-0.6 |
0.608 |
0 |
0 |
0 |
0.015 |
| 10 |
11 |
|
[ACT]B:204 |
3 |
1 |
184 |
f |
A |
-y,x-y-1,z |
2_545 |
9 |
3 |
5521 |
67.6 |
-1.6 |
0.497 |
0 |
0 |
0 |
0.039 |
| 11 |
12 |
|
B |
13 |
4 |
5497 |
◊ |
[ACT]B:205 |
-y,x-y-1,z |
2_545 |
4 |
1 |
183 |
64.0 |
-0.9 |
0.663 |
0 |
0 |
0 |
0.010 |
| 12 |
13 |
|
B |
8 |
3 |
5497 |
f |
[ACT]A:203 |
-y,x-y-1,z |
2_545 |
4 |
1 |
184 |
63.8 |
-1.4 |
0.433 |
0 |
0 |
0 |
0.035 |
| 13 |
14 |
|
A |
8 |
3 |
5521 |
◊ |
B |
x-y-1,x-1,z-1/2 |
6_444 |
4 |
1 |
5497 |
58.5 |
0.6 |
0.824 |
1 |
0 |
0 |
0.000 |
15 |
|
A |
4 |
1 |
5521 |
◊ |
B |
x-y,x,z-1/2 |
6_554 |
7 |
3 |
5497 |
57.8 |
0.6 |
0.811 |
1 |
0 |
0 |
0.000 |
| Average: |
58.2 |
0.6 |
0.818 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[CA]B:151 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
5497 |
44.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.315 |
17 |
|
[CA]A:149 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
5521 |
43.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.315 |
| Average: |
44.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.315 |
| 15 |
18 |
|
[CA]B:152 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
5497 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.321 |
19 |
|
[CA]A:150 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
5521 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.321 |
| Average: |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.321 |
| 16 |
20 |
|
[ACT]B:205 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
5497 |
33.1 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[ACT]B:205 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
5521 |
19.2 |
-0.6 |
0.423 |
0 |
0 |
0 |
0.015 |
| 18 |
22 |
|
[ACT]B:202 |
2 |
1 |
183 |
◊ |
[ACT]A:203 |
-y,x-y-1,z |
2_545 |
3 |
1 |
184 |
7.8 |
-0.1 |
0.656 |
0 |
0 |
0 |
0.002 |
| 19 |
23 |
|
[ACT]B:205 |
1 |
1 |
183 |
◊ |
[ACT]A:203 |
x,y,z |
1_555 |
3 |
1 |
184 |
7.7 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[ACT]B:204 |
2 |
1 |
184 |
◊ |
[ACT]A:201 |
-y,x-y-1,z |
2_545 |
2 |
1 |
184 |
4.9 |
-0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
|