| ## |
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 |
164 |
48 |
14577 |
◊ |
A |
x,y,z |
1_555 |
160 |
48 |
14652 |
1595.4 |
-16.1 |
0.138 |
34 |
10 |
0 |
1.000 |
| 2 |
2 |
|
D |
54 |
8 |
1129 |
◊ |
B |
x,y,z |
1_555 |
95 |
30 |
14577 |
673.4 |
-8.2 |
0.507 |
13 |
0 |
0 |
0.965 |
3 |
|
C |
52 |
8 |
1099 |
◊ |
A |
x,y,z |
1_555 |
96 |
29 |
14652 |
654.0 |
-9.3 |
0.445 |
14 |
0 |
0 |
0.965 |
| Average: |
663.7 |
-8.8 |
0.476 |
14 |
0 |
0 |
0.965 |
| 3 |
4 |
|
B |
34 |
13 |
14577 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
11 |
14652 |
297.2 |
-0.9 |
0.484 |
4 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
37 |
9 |
14652 |
x |
A |
x-1,y+1,z |
1_465 |
23 |
6 |
14652 |
287.1 |
-0.9 |
0.564 |
2 |
5 |
0 |
0.000 |
| 5 |
6 |
|
B |
32 |
13 |
14577 |
◊ |
A |
x-1,y,z+1 |
1_456 |
28 |
10 |
14652 |
263.5 |
-3.4 |
0.284 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
33 |
11 |
14652 |
x |
A |
x-1,y,z |
1_455 |
30 |
9 |
14652 |
245.8 |
-4.5 |
0.193 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
28 |
9 |
14577 |
x |
B |
x-1,y,z |
1_455 |
30 |
9 |
14577 |
228.4 |
-4.2 |
0.187 |
0 |
0 |
0 |
0.000 |
| Average: |
237.1 |
-4.3 |
0.190 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
27 |
8 |
14652 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
7 |
14577 |
222.8 |
0.4 |
0.581 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
15 |
6 |
14577 |
x |
B |
x,y-1,z |
1_545 |
17 |
6 |
14577 |
145.0 |
0.8 |
0.751 |
1 |
2 |
0 |
0.000 |
| 9 |
11 |
|
B |
21 |
6 |
14577 |
x |
B |
x-1,y-1,z |
1_445 |
17 |
4 |
14577 |
140.4 |
-0.7 |
0.545 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
D |
11 |
4 |
1129 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
7 |
14577 |
110.3 |
-2.2 |
0.338 |
1 |
0 |
0 |
0.119 |
13 |
|
A |
15 |
7 |
14652 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
4 |
1099 |
99.6 |
-1.8 |
0.362 |
1 |
0 |
0 |
0.119 |
| Average: |
104.9 |
-2.0 |
0.350 |
1 |
0 |
0 |
0.119 |
| 11 |
14 |
|
B |
7 |
3 |
14577 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
11 |
5 |
14652 |
100.1 |
-1.8 |
0.199 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
B |
11 |
5 |
14577 |
◊ |
A |
x,y-1,z+1 |
1_546 |
7 |
2 |
14652 |
80.0 |
0.5 |
0.726 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
A |
5 |
3 |
14652 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
3 |
14577 |
67.9 |
-0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[ACE]D:1 |
2 |
1 |
171 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
5 |
14577 |
55.8 |
-1.4 |
0.452 |
0 |
0 |
0 |
0.071 |
18 |
|
A |
11 |
5 |
14652 |
◊ |
[ACE]C:1 |
x-1,y,z |
1_455 |
2 |
1 |
172 |
54.7 |
-1.5 |
0.449 |
0 |
0 |
0 |
0.071 |
| Average: |
55.2 |
-1.4 |
0.451 |
0 |
0 |
0 |
0.071 |
| 15 |
19 |
|
[ACE]C:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14652 |
55.1 |
-0.9 |
0.457 |
0 |
0 |
0 |
0.060 |
20 |
|
[ACE]D:1 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14577 |
53.9 |
-0.9 |
0.440 |
0 |
0 |
0 |
0.060 |
| Average: |
54.5 |
-0.9 |
0.448 |
0 |
0 |
0 |
0.060 |
| 16 |
21 |
|
A |
5 |
1 |
14652 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
14577 |
53.0 |
1.0 |
0.859 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[NH2]D:10 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
3 |
1 |
1129 |
51.2 |
0.2 |
0.635 |
0 |
0 |
0 |
0.000 |
23 |
|
[NH2]C:10 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
1099 |
49.9 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| Average: |
50.5 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[ACE]C:1 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
5 |
1 |
1099 |
43.0 |
-0.3 |
0.865 |
0 |
0 |
0 |
0.691 |
25 |
|
[ACE]D:1 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
5 |
1 |
1129 |
42.4 |
-0.3 |
0.862 |
0 |
0 |
0 |
0.691 |
| Average: |
42.7 |
-0.3 |
0.864 |
0 |
0 |
0 |
0.691 |
| 19 |
26 |
|
[NH2]C:10 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14652 |
31.7 |
0.5 |
0.813 |
0 |
0 |
0 |
0.000 |
27 |
|
[NH2]D:10 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14577 |
14.4 |
0.3 |
0.882 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
0.4 |
0.847 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
A |
5 |
3 |
14652 |
x |
A |
x,y-1,z |
1_545 |
4 |
3 |
14652 |
28.2 |
0.7 |
0.787 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
D |
1 |
1 |
1129 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14652 |
17.7 |
0.4 |
0.868 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
1 |
1 |
1099 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14577 |
14.7 |
0.3 |
0.854 |
0 |
0 |
0 |
0.000 |
| Average: |
16.2 |
0.4 |
0.861 |
0 |
0 |
0 |
0.000 |
|