| ## |
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 |
54 |
16 |
9586 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
9656 |
483.4 |
-5.3 |
0.319 |
3 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
38 |
15 |
9656 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
15 |
9656 |
396.6 |
-5.1 |
0.224 |
1 |
0 |
0 |
0.000 |
3 |
|
B |
37 |
14 |
9586 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
34 |
14 |
9586 |
371.7 |
-5.1 |
0.196 |
1 |
0 |
0 |
0.000 |
| Average: |
384.1 |
-5.1 |
0.210 |
1 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
17 |
6 |
9656 |
x |
A |
x-1,y,z |
1_455 |
24 |
9 |
9656 |
162.4 |
0.7 |
0.536 |
0 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[BGC]D:2 |
9 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
9586 |
120.5 |
1.7 |
0.394 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[BGC]C:1 |
11 |
1 |
311 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
9656 |
118.5 |
1.6 |
0.326 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[BGC]C:3 |
9 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9656 |
117.1 |
2.1 |
0.428 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[BGC]D:1 |
9 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9586 |
110.0 |
1.8 |
0.363 |
2 |
0 |
0 |
0.000 |
9 |
|
[BGC]C:2 |
9 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
9656 |
103.0 |
2.1 |
0.370 |
2 |
0 |
0 |
0.000 |
| Average: |
106.5 |
1.9 |
0.367 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[BGC]C:4 |
8 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9656 |
91.9 |
1.6 |
0.367 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
A |
7 |
2 |
9656 |
x |
A |
x,y-1,z |
1_545 |
12 |
7 |
9656 |
79.4 |
0.7 |
0.744 |
1 |
0 |
0 |
0.000 |
12 |
|
B |
14 |
8 |
9586 |
x |
B |
x,y-1,z |
1_545 |
7 |
3 |
9586 |
73.0 |
0.8 |
0.749 |
2 |
0 |
0 |
0.000 |
| Average: |
76.2 |
0.8 |
0.746 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
10 |
4 |
9586 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
3 |
9656 |
66.5 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[BGC]C:4 |
6 |
1 |
295 |
cf |
[BGC]C:3 |
x,y,z |
1_555 |
6 |
1 |
293 |
63.3 |
1.2 |
0.145 |
1 |
0 |
0 |
0.000 |
15 |
|
[BGC]C:3 |
7 |
1 |
293 |
cf |
[BGC]C:2 |
x,y,z |
1_555 |
4 |
1 |
293 |
62.5 |
1.1 |
0.137 |
0 |
0 |
0 |
0.000 |
| Average: |
62.9 |
1.1 |
0.141 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[BGC]C:2 |
6 |
1 |
293 |
cf |
[BGC]C:1 |
x,y,z |
1_555 |
5 |
1 |
311 |
61.1 |
1.2 |
0.171 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
B |
6 |
3 |
9586 |
x |
B |
-x,y-1/2,-z |
2_545 |
6 |
4 |
9586 |
60.6 |
1.1 |
0.820 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[BGC]D:2 |
7 |
1 |
298 |
cf |
[BGC]D:1 |
x,y,z |
1_555 |
6 |
1 |
306 |
59.5 |
0.9 |
0.096 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[CU]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9586 |
57.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.234 |
20 |
|
[CU]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9656 |
48.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.234 |
| Average: |
52.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.234 |
| 16 |
21 |
|
B |
10 |
4 |
9586 |
x |
B |
x-1,y,z |
1_455 |
6 |
3 |
9586 |
48.0 |
-0.7 |
0.417 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[BGC]C:4 |
2 |
1 |
295 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
9656 |
34.2 |
0.4 |
0.371 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[BGC]C:1 |
6 |
1 |
311 |
f |
[CU]A:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.043 |
| 19 |
24 |
|
[BGC]D:1 |
3 |
1 |
306 |
f |
[CU]B:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
25 |
|
[BGC]C:2 |
2 |
1 |
293 |
f |
[CU]A:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
13.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 20 |
26 |
|
[BGC]D:2 |
2 |
1 |
298 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9586 |
2.0 |
0.0 |
0.339 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[BGC]C:3 |
1 |
1 |
293 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9656 |
1.8 |
-0.0 |
0.283 |
0 |
0 |
0 |
0.000 |
|