## |
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 |
29 |
6 |
1011 |
◊ |
A |
x,y,z |
1_555 |
30 |
6 |
1005 |
232.8 |
-3.0 |
0.785 |
6 |
0 |
0 |
0.000 |
2 |
|
D |
28 |
6 |
1002 |
◊ |
C |
x,y,z |
1_555 |
30 |
6 |
1006 |
231.7 |
-3.0 |
0.760 |
6 |
0 |
0 |
0.000 |
3 |
|
B |
27 |
6 |
1011 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
6 |
1005 |
231.3 |
-3.5 |
0.773 |
6 |
0 |
0 |
0.000 |
4 |
|
C |
32 |
6 |
1006 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
6 |
1002 |
227.5 |
-3.3 |
0.749 |
6 |
0 |
0 |
0.000 |
Average: |
230.8 |
-3.2 |
0.767 |
6 |
0 |
0 |
0.000 |
2 |
5 |
|
[ORA]B:49 |
15 |
1 |
535 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
1006 |
83.5 |
0.8 |
0.336 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
8 |
3 |
1005 |
◊ |
[ORA]D:50 |
x,y-1,z+1 |
1_546 |
14 |
1 |
534 |
77.4 |
0.3 |
0.299 |
0 |
0 |
0 |
0.000 |
Average: |
80.5 |
0.6 |
0.317 |
1 |
0 |
0 |
0.000 |
3 |
7 |
|
[ORA]B:49 |
18 |
1 |
535 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
1002 |
75.1 |
-0.2 |
0.197 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
11 |
3 |
1011 |
◊ |
[ORA]D:50 |
x,y-1,z+1 |
1_546 |
18 |
1 |
534 |
72.4 |
-0.4 |
0.201 |
0 |
0 |
0 |
0.000 |
Average: |
73.7 |
-0.3 |
0.199 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
[ORA]B:49 |
13 |
1 |
535 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
1011 |
73.3 |
0.1 |
0.207 |
1 |
0 |
0 |
0.000 |
10 |
|
[ORA]D:50 |
14 |
1 |
534 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
1002 |
68.9 |
-0.3 |
0.176 |
1 |
0 |
0 |
0.000 |
Average: |
71.1 |
-0.1 |
0.192 |
1 |
0 |
0 |
0.000 |
5 |
11 |
|
C |
5 |
2 |
1006 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
1011 |
67.8 |
-0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
6 |
2 |
1005 |
◊ |
D |
x,y-1,z+1 |
1_546 |
9 |
3 |
1002 |
67.4 |
-0.7 |
0.712 |
0 |
0 |
0 |
0.000 |
Average: |
67.6 |
-0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
6 |
13 |
|
[ORA]B:49 |
19 |
1 |
535 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
1005 |
59.9 |
-1.0 |
0.097 |
0 |
0 |
0 |
0.100 |
14 |
|
[ORA]D:50 |
19 |
1 |
534 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
1006 |
59.7 |
-0.8 |
0.118 |
0 |
0 |
0 |
0.100 |
Average: |
59.8 |
-0.9 |
0.107 |
0 |
0 |
0 |
0.100 |
7 |
15 |
|
[ORA]B:49 |
11 |
1 |
535 |
x |
[ORA]B:49 |
x-1,y,z |
1_455 |
10 |
1 |
535 |
53.7 |
2.1 |
0.220 |
0 |
0 |
0 |
0.000 |
16 |
|
[ORA]D:50 |
9 |
1 |
534 |
x |
[ORA]D:50 |
x-1,y,z |
1_455 |
11 |
1 |
534 |
48.5 |
1.7 |
0.217 |
0 |
0 |
0 |
0.000 |
Average: |
51.1 |
1.9 |
0.218 |
0 |
0 |
0 |
0.000 |
8 |
17 |
|
[ORA]B:49 |
6 |
1 |
535 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
2 |
1005 |
52.2 |
0.9 |
0.622 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
9 |
2 |
1006 |
◊ |
[ORA]D:50 |
x-1,y,z |
1_455 |
6 |
1 |
534 |
51.1 |
0.8 |
0.620 |
0 |
0 |
0 |
0.000 |
Average: |
51.7 |
0.9 |
0.621 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
C |
6 |
2 |
1006 |
◊ |
[ORA]B:49 |
x-1,y,z |
1_455 |
6 |
1 |
535 |
51.5 |
1.1 |
0.573 |
1 |
0 |
0 |
0.000 |
20 |
|
[ORA]D:50 |
7 |
1 |
534 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
6 |
2 |
1005 |
47.9 |
0.3 |
0.380 |
1 |
0 |
0 |
0.000 |
Average: |
49.7 |
0.7 |
0.476 |
1 |
0 |
0 |
0.000 |
10 |
21 |
|
B |
5 |
2 |
1011 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
2 |
1002 |
39.1 |
-0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
C |
4 |
1 |
1006 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
1 |
1011 |
39.0 |
0.2 |
0.808 |
1 |
0 |
0 |
0.000 |
23 |
|
D |
6 |
1 |
1002 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
1 |
1005 |
37.1 |
0.3 |
0.828 |
1 |
0 |
0 |
0.000 |
Average: |
38.0 |
0.2 |
0.818 |
1 |
0 |
0 |
0.000 |
12 |
24 |
|
B |
4 |
1 |
1011 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
1 |
1006 |
34.7 |
-0.0 |
0.779 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
6 |
1 |
1005 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
1 |
1002 |
34.2 |
-0.0 |
0.790 |
2 |
0 |
0 |
0.000 |
Average: |
34.5 |
-0.0 |
0.784 |
2 |
0 |
0 |
0.000 |
13 |
26 |
|
C |
5 |
1 |
1006 |
◊ |
A |
x-1,y+1,z |
1_465 |
4 |
1 |
1005 |
32.2 |
0.2 |
0.813 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
[ORA]D:50 |
5 |
1 |
534 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
1002 |
27.3 |
0.4 |
0.353 |
2 |
0 |
0 |
0.000 |
28 |
|
B |
2 |
1 |
1011 |
◊ |
[ORA]B:49 |
x-1,y,z |
1_455 |
3 |
1 |
535 |
25.9 |
-0.1 |
0.291 |
1 |
0 |
0 |
0.000 |
Average: |
26.6 |
0.2 |
0.322 |
2 |
0 |
0 |
0.000 |
15 |
29 |
|
B |
1 |
1 |
1011 |
◊ |
C |
x,y-1,z+1 |
1_546 |
3 |
1 |
1006 |
25.5 |
-0.8 |
0.242 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
1 |
1 |
1002 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
1005 |
24.4 |
-0.8 |
0.243 |
0 |
0 |
0 |
0.000 |
Average: |
24.9 |
-0.8 |
0.242 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
C |
3 |
1 |
1006 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
1005 |
22.2 |
0.4 |
0.837 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
A |
2 |
1 |
1005 |
◊ |
[ORA]B:49 |
x,y-1,z |
1_545 |
3 |
1 |
535 |
21.9 |
0.9 |
0.539 |
2 |
0 |
0 |
0.000 |
33 |
|
[ORA]D:50 |
3 |
1 |
534 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
1006 |
18.2 |
0.5 |
0.506 |
1 |
0 |
0 |
0.000 |
Average: |
20.0 |
0.7 |
0.523 |
2 |
0 |
0 |
0.000 |
18 |
34 |
|
[ORA]D:50 |
4 |
1 |
534 |
◊ |
[ORA]B:49 |
x-1,y,z-1 |
1_454 |
4 |
1 |
535 |
18.4 |
-0.1 |
0.152 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
2 |
1 |
1005 |
◊ |
C |
x,y-1,z+1 |
1_546 |
2 |
1 |
1006 |
17.7 |
-0.6 |
0.453 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
2 |
1 |
1006 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
1005 |
16.5 |
-0.5 |
0.467 |
0 |
0 |
0 |
0.000 |
Average: |
17.1 |
-0.5 |
0.460 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
[ORA]D:50 |
3 |
1 |
534 |
◊ |
[ORA]B:49 |
x,y,z-1 |
1_554 |
2 |
1 |
535 |
17.2 |
0.4 |
0.344 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
[ORA]B:49 |
4 |
1 |
535 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
1002 |
16.3 |
0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
3 |
2 |
1011 |
◊ |
[ORA]D:50 |
x-1,y-1,z+1 |
1_446 |
4 |
1 |
534 |
15.2 |
0.2 |
0.455 |
0 |
0 |
0 |
0.000 |
Average: |
15.7 |
0.2 |
0.452 |
0 |
0 |
0 |
0.000 |
22 |
40 |
|
D |
1 |
1 |
1002 |
◊ |
[ORA]B:49 |
x,y,z-1 |
1_554 |
3 |
1 |
535 |
15.6 |
0.7 |
0.463 |
1 |
0 |
0 |
0.000 |
41 |
|
[ORA]D:50 |
3 |
1 |
534 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
1011 |
11.9 |
0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
13.7 |
0.7 |
0.464 |
1 |
0 |
0 |
0.000 |
23 |
42 |
|
C |
2 |
1 |
1006 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
1 |
1005 |
14.8 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
24 |
43 |
|
C |
1 |
1 |
1006 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
3 |
1 |
1005 |
14.5 |
-0.5 |
0.450 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
3 |
1 |
1006 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
1005 |
14.2 |
-0.5 |
0.453 |
0 |
0 |
0 |
0.000 |
Average: |
14.3 |
-0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
B |
3 |
1 |
1011 |
◊ |
D |
x-1,y-1,z |
1_445 |
3 |
1 |
1002 |
11.6 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
B |
2 |
1 |
1011 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
1002 |
6.6 |
-0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
1 |
1 |
1011 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
2 |
1 |
1002 |
2.7 |
-0.1 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
-0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
27 |
48 |
|
D |
2 |
1 |
1002 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
1011 |
6.2 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
B |
1 |
1 |
1011 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
1011 |
1.6 |
-0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
B |
1 |
1 |
1011 |
◊ |
D |
x,y-1,z+1 |
1_546 |
1 |
1 |
1002 |
0.3 |
-0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
|