| ## |
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 |
111 |
33 |
9184 |
◊ |
B |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
115 |
33 |
9141 |
1028.8 |
0.6 |
0.751 |
16 |
6 |
0 |
0.000 |
| 2 |
2 |
|
B |
81 |
26 |
9141 |
◊ |
A |
x,y,z |
1_555 |
77 |
24 |
9184 |
729.4 |
-10.2 |
0.085 |
4 |
0 |
0 |
0.183 |
| 3 |
3 |
|
A |
54 |
17 |
9184 |
◊ |
B |
y-1,x,-z |
7_455 |
51 |
18 |
9141 |
503.3 |
-1.5 |
0.541 |
5 |
6 |
0 |
0.000 |
| 4 |
4 |
|
A |
21 |
8 |
9184 |
x |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
21 |
5 |
9184 |
172.8 |
-0.6 |
0.531 |
2 |
1 |
0 |
0.000 |
5 |
|
B |
21 |
8 |
9141 |
x |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
24 |
7 |
9141 |
170.9 |
0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
| Average: |
171.9 |
-0.2 |
0.590 |
1 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[EDO]A:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
9184 |
111.6 |
4.6 |
0.572 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]B:201 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
9141 |
94.5 |
3.4 |
0.656 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]A:201 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
9184 |
94.4 |
3.4 |
0.658 |
4 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
9184 |
77.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.341 |
10 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9141 |
71.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.341 |
| Average: |
74.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.341 |
| 9 |
11 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
9184 |
68.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.279 |
12 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
9141 |
67.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.279 |
| Average: |
68.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.279 |
| 10 |
13 |
|
[NA]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9184 |
60.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.130 |
| 11 |
14 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
[EDO]B:201 |
x,y,z |
1_555 |
3 |
1 |
184 |
26.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| 12 |
15 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
[EDO]A:201 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 13 |
16 |
|
[NA]A:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9141 |
24.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.038 |
| 14 |
17 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
[EDO]B:201 |
x,y,z |
1_555 |
2 |
1 |
184 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 15 |
18 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
[CL]B:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 16 |
19 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
[CL]A:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.018 |
| 17 |
20 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
[EDO]A:201 |
x,y,z |
1_555 |
1 |
1 |
183 |
4.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
|