| ## |
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 |
190 |
55 |
11392 |
◊ |
A |
x,y,z |
1_555 |
188 |
52 |
11042 |
1742.3 |
-24.4 |
0.228 |
14 |
1 |
0 |
1.000 |
2 |
|
H |
176 |
52 |
11398 |
◊ |
L |
x,y,z |
1_555 |
172 |
54 |
10819 |
1670.7 |
-24.3 |
0.144 |
11 |
0 |
0 |
1.000 |
| Average: |
1706.5 |
-24.3 |
0.186 |
13 |
1 |
0 |
1.000 |
| 2 |
3 |
|
H |
50 |
15 |
11398 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
11042 |
468.8 |
-3.5 |
0.581 |
3 |
2 |
0 |
0.000 |
4 |
|
L |
45 |
15 |
10819 |
◊ |
B |
x,y,z-1 |
1_554 |
51 |
14 |
11392 |
443.8 |
-2.8 |
0.676 |
5 |
3 |
0 |
0.000 |
| Average: |
456.3 |
-3.2 |
0.628 |
4 |
3 |
0 |
0.000 |
| 3 |
5 |
|
A |
47 |
16 |
11042 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
17 |
11392 |
410.8 |
-5.0 |
0.448 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
H |
36 |
14 |
11398 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
14 |
11392 |
330.0 |
1.2 |
0.940 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
32 |
14 |
11392 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
9 |
11042 |
277.9 |
2.6 |
0.928 |
2 |
0 |
0 |
0.000 |
8 |
|
L |
26 |
8 |
10819 |
◊ |
H |
x-1,y,z |
1_455 |
39 |
13 |
11398 |
246.4 |
1.1 |
0.904 |
1 |
0 |
0 |
0.000 |
| Average: |
262.1 |
1.8 |
0.916 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
A |
28 |
10 |
11042 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
9 |
10819 |
220.3 |
-2.8 |
0.385 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
H |
17 |
7 |
11398 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
21 |
8 |
10819 |
173.4 |
-0.8 |
0.671 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
H |
18 |
10 |
11398 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
10 |
11042 |
152.4 |
-1.7 |
0.484 |
0 |
0 |
0 |
0.000 |
12 |
|
L |
22 |
11 |
10819 |
◊ |
B |
x-1,y,z-1 |
1_454 |
19 |
9 |
11392 |
150.7 |
-1.5 |
0.550 |
1 |
0 |
0 |
0.000 |
| Average: |
151.5 |
-1.6 |
0.517 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
H |
20 |
9 |
11398 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
12 |
4 |
10819 |
143.0 |
0.2 |
0.793 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
L |
15 |
5 |
10819 |
x |
L |
-x,y-1/2,-z |
2_545 |
16 |
6 |
10819 |
140.7 |
-0.8 |
0.569 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[IOD]B:1214 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11392 |
80.0 |
0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
16 |
|
[IOD]H:1214 |
1 |
1 |
144 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
11398 |
74.7 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
77.4 |
0.2 |
0.427 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[IOD]H:1215 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
11398 |
64.1 |
0.5 |
0.922 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[IOD]A:1213 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
11042 |
59.0 |
0.3 |
0.866 |
0 |
0 |
0 |
0.000 |
19 |
|
[IOD]L:1213 |
1 |
1 |
144 |
f |
L |
x,y,z |
1_555 |
10 |
3 |
10819 |
58.0 |
0.3 |
0.861 |
0 |
0 |
0 |
0.000 |
| Average: |
58.5 |
0.3 |
0.864 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[IOD]L:1213 |
1 |
1 |
144 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
4 |
11392 |
57.9 |
0.4 |
0.914 |
0 |
0 |
0 |
0.000 |
21 |
|
[IOD]A:1213 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
11398 |
55.2 |
0.4 |
0.910 |
0 |
0 |
0 |
0.000 |
| Average: |
56.6 |
0.4 |
0.912 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
H |
6 |
2 |
11398 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
11392 |
44.5 |
-0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[IOD]H:1215 |
1 |
1 |
144 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
10819 |
25.5 |
0.3 |
0.917 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
L |
6 |
4 |
10819 |
x |
L |
x-1,y,z |
1_455 |
4 |
2 |
10819 |
22.6 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
3 |
3 |
11042 |
x |
A |
x-1,y,z |
1_455 |
5 |
3 |
11042 |
22.2 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
| Average: |
22.4 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
A |
2 |
2 |
11042 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
2 |
11392 |
14.5 |
-0.4 |
0.334 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
L |
1 |
1 |
10819 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
11042 |
12.0 |
-0.6 |
0.228 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
H |
1 |
1 |
11398 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
1 |
11042 |
7.7 |
-0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[IOD]H:1215 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11392 |
7.5 |
0.1 |
0.903 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
L |
1 |
1 |
10819 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11392 |
2.5 |
0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
|