| ## |
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 |
172 |
44 |
11277 |
◊ |
A |
x,y,z |
1_555 |
170 |
42 |
10749 |
1688.5 |
-17.0 |
0.075 |
20 |
4 |
0 |
0.553 |
| 2 |
2 |
|
A |
61 |
14 |
10749 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
54 |
19 |
11277 |
565.2 |
-3.9 |
0.324 |
5 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
62 |
15 |
11277 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
61 |
14 |
10749 |
518.4 |
0.3 |
0.664 |
5 |
4 |
0 |
0.000 |
| 4 |
4 |
|
D |
31 |
4 |
718 |
◊ |
B |
x,y,z |
1_555 |
61 |
22 |
11277 |
423.0 |
2.0 |
0.611 |
15 |
9 |
0 |
0.215 |
5 |
|
C |
31 |
4 |
715 |
◊ |
A |
x,y,z |
1_555 |
57 |
22 |
10749 |
416.9 |
1.7 |
0.588 |
14 |
9 |
0 |
0.215 |
| Average: |
420.0 |
1.8 |
0.600 |
15 |
9 |
0 |
0.215 |
| 5 |
6 |
|
B |
24 |
5 |
11277 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
26 |
10 |
11277 |
230.6 |
-0.3 |
0.535 |
6 |
2 |
0 |
0.000 |
| 6 |
7 |
|
A |
13 |
5 |
10749 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
4 |
11277 |
98.9 |
-0.4 |
0.391 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
9 |
4 |
11277 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
8 |
3 |
11277 |
85.7 |
-0.4 |
0.402 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
7 |
2 |
10749 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
4 |
10749 |
74.3 |
-0.3 |
0.412 |
0 |
0 |
0 |
0.000 |
| Average: |
80.0 |
-0.3 |
0.407 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11277 |
67.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.447 |
11 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10749 |
66.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.447 |
| Average: |
67.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.447 |
| 9 |
12 |
|
[ACE]D:1 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
11277 |
66.0 |
-0.8 |
0.615 |
0 |
0 |
0 |
0.024 |
13 |
|
[ACE]C:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
10749 |
59.4 |
-0.6 |
0.636 |
0 |
0 |
0 |
0.024 |
| Average: |
62.7 |
-0.7 |
0.626 |
0 |
0 |
0 |
0.024 |
| 10 |
14 |
|
[ACE]D:1 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
718 |
61.7 |
-0.1 |
0.727 |
1 |
0 |
0 |
0.019 |
15 |
|
[ACE]C:1 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
715 |
61.4 |
-0.1 |
0.713 |
1 |
0 |
0 |
0.019 |
| Average: |
61.5 |
-0.1 |
0.720 |
1 |
0 |
0 |
0.019 |
| 11 |
16 |
|
[0QE]D:6 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
11277 |
54.7 |
1.9 |
0.562 |
0 |
0 |
0 |
0.000 |
17 |
|
[0QE]C:6 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
10749 |
54.3 |
1.8 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
54.5 |
1.8 |
0.567 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[0QE]C:6 |
1 |
1 |
129 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
715 |
49.4 |
1.5 |
0.542 |
0 |
0 |
0 |
0.000 |
19 |
|
[0QE]D:6 |
1 |
1 |
129 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
718 |
48.3 |
1.5 |
0.553 |
0 |
0 |
0 |
0.000 |
| Average: |
48.9 |
1.5 |
0.547 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
A |
4 |
2 |
10749 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
10749 |
38.5 |
0.6 |
0.757 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
A |
1 |
1 |
10749 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
10749 |
13.9 |
-0.4 |
0.218 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
D |
1 |
1 |
718 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
10749 |
7.5 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
A |
1 |
1 |
10749 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
11277 |
0.5 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
|