| ## |
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 |
|
C |
271 |
71 |
14076 |
◊ |
D |
x-1,y,z |
1_455 |
270 |
72 |
14161 |
2655.4 |
-37.1 |
0.004 |
18 |
8 |
0 |
0.658 |
2 |
|
B |
261 |
69 |
13766 |
◊ |
A |
x,y,z |
1_555 |
268 |
70 |
14248 |
2619.0 |
-35.6 |
0.005 |
19 |
8 |
0 |
0.658 |
| Average: |
2637.2 |
-36.4 |
0.005 |
19 |
8 |
0 |
0.658 |
| 2 |
3 |
|
C |
52 |
17 |
14076 |
◊ |
B |
x,y,z-1 |
1_554 |
52 |
16 |
13766 |
466.5 |
-2.9 |
0.461 |
3 |
2 |
0 |
0.000 |
4 |
|
C |
53 |
17 |
14076 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
13766 |
460.1 |
-3.2 |
0.447 |
3 |
1 |
0 |
0.000 |
| Average: |
463.3 |
-3.1 |
0.454 |
3 |
2 |
0 |
0.000 |
| 3 |
5 |
|
D |
31 |
7 |
14161 |
◊ |
B |
x,y,z-1 |
1_554 |
40 |
9 |
13766 |
272.5 |
-2.3 |
0.320 |
2 |
0 |
0 |
0.000 |
6 |
|
C |
42 |
10 |
14076 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
7 |
14248 |
270.2 |
-1.4 |
0.460 |
3 |
0 |
0 |
0.000 |
| Average: |
271.3 |
-1.9 |
0.390 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
20 |
9 |
13766 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
9 |
14248 |
133.9 |
-0.4 |
0.591 |
0 |
0 |
0 |
0.000 |
8 |
|
D |
21 |
8 |
14161 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
14076 |
121.2 |
-0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
| Average: |
127.5 |
-0.6 |
0.570 |
0 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[GOL]B:404 |
6 |
1 |
220 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
6 |
14248 |
100.9 |
-1.1 |
0.426 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[GOL]C:403 |
6 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
14161 |
97.5 |
-1.1 |
0.465 |
2 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[GOL]C:404 |
6 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
14076 |
97.1 |
-1.2 |
0.417 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[GOL]B:403 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13766 |
96.2 |
-1.2 |
0.442 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[GOL]B:404 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13766 |
56.4 |
1.2 |
0.826 |
4 |
0 |
0 |
0.009 |
| 10 |
14 |
|
[GOL]B:403 |
4 |
1 |
220 |
f |
A |
x-1,y,z |
1_455 |
7 |
4 |
14248 |
56.0 |
1.4 |
0.847 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
D |
6 |
2 |
14161 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14248 |
54.5 |
2.5 |
0.948 |
1 |
2 |
0 |
0.000 |
16 |
|
D |
4 |
1 |
14161 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
2 |
14248 |
53.6 |
0.8 |
0.819 |
1 |
2 |
0 |
0.000 |
| Average: |
54.0 |
1.7 |
0.884 |
1 |
2 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]C:403 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
14076 |
54.1 |
1.1 |
0.824 |
3 |
0 |
0 |
0.004 |
| 13 |
18 |
|
[GOL]C:404 |
4 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
14161 |
51.6 |
1.0 |
0.759 |
3 |
0 |
0 |
0.005 |
| 14 |
19 |
|
[CA]C:401 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
14076 |
29.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.169 |
20 |
|
[CA]D:401 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14161 |
29.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.169 |
21 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13766 |
29.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.169 |
22 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14248 |
29.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.169 |
| Average: |
29.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.169 |
| 15 |
23 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
14076 |
29.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.068 |
24 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13766 |
29.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
29.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.068 |
| 16 |
25 |
|
[CA]C:402 |
1 |
1 |
85 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
3 |
13766 |
26.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[CA]B:402 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
14076 |
25.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[GOL]B:403 |
3 |
1 |
220 |
f |
[CA]A:401 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
25.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.052 |
28 |
|
[GOL]C:404 |
3 |
1 |
221 |
f |
[CA]D:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
25.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.052 |
| 18 |
29 |
|
[GOL]B:404 |
2 |
1 |
220 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
30 |
|
[GOL]C:403 |
2 |
1 |
220 |
f |
[CA]C:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
24.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| 19 |
31 |
|
C |
2 |
2 |
14076 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
14248 |
20.4 |
0.6 |
0.828 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
2 |
2 |
13766 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
14161 |
20.3 |
0.6 |
0.832 |
0 |
0 |
0 |
0.000 |
| Average: |
20.3 |
0.6 |
0.830 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[CA]B:401 |
1 |
1 |
85 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
14248 |
18.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[CA]C:401 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14161 |
18.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[CA]D:401 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14076 |
18.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
2 |
1 |
13766 |
◊ |
[CA]A:401 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
18.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
18.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
|