## |
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 |
|
E |
60 |
16 |
3161 |
◊ |
B |
x,y,z |
1_555 |
58 |
16 |
3050 |
714.9 |
-14.7 |
0.380 |
2 |
4 |
0 |
0.964 |
2 |
|
E |
56 |
16 |
3161 |
◊ |
A |
x,y,z |
1_555 |
64 |
18 |
3122 |
690.5 |
-15.6 |
0.295 |
1 |
0 |
0 |
0.964 |
3 |
|
D |
56 |
17 |
3035 |
◊ |
A |
x,y,z |
1_555 |
59 |
16 |
3122 |
671.0 |
-16.5 |
0.205 |
0 |
0 |
0 |
0.964 |
4 |
|
C |
58 |
17 |
2960 |
◊ |
B |
x,y,z |
1_555 |
62 |
17 |
3050 |
664.1 |
-15.0 |
0.353 |
2 |
3 |
0 |
0.964 |
5 |
|
D |
55 |
16 |
3035 |
◊ |
C |
x,y,z |
1_555 |
53 |
16 |
2960 |
617.8 |
-16.5 |
0.178 |
0 |
0 |
0 |
0.964 |
Average: |
671.7 |
-15.7 |
0.282 |
1 |
1 |
0 |
0.964 |
2 |
6 |
|
A |
28 |
7 |
3122 |
◊ |
C |
-x+2,y-1/2,-z+3/2 |
3_746 |
23 |
6 |
2960 |
230.8 |
-1.5 |
0.799 |
1 |
2 |
0 |
0.000 |
3 |
7 |
|
B |
21 |
6 |
3050 |
◊ |
D |
-x+2,-y+1/2,z-1/2 |
4_754 |
26 |
6 |
3035 |
229.3 |
-0.6 |
0.851 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
A |
14 |
5 |
3122 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
17 |
3 |
2960 |
132.0 |
-0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
A |
12 |
4 |
3122 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
5 |
3161 |
115.4 |
-0.8 |
0.730 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
E |
7 |
4 |
3161 |
◊ |
C |
-x+2,y-1/2,-z+3/2 |
3_746 |
13 |
3 |
2960 |
106.1 |
1.5 |
0.876 |
0 |
1 |
0 |
0.000 |
7 |
11 |
|
A |
10 |
3 |
3122 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
13 |
3 |
3050 |
90.9 |
0.3 |
0.826 |
1 |
2 |
0 |
0.000 |
8 |
12 |
|
E |
11 |
3 |
3161 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
3050 |
88.6 |
-1.0 |
0.752 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
D |
10 |
4 |
3035 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
3122 |
77.5 |
-1.3 |
0.530 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
9 |
2 |
3122 |
◊ |
D |
-x+2,y-1/2,-z+3/2 |
3_746 |
8 |
2 |
3035 |
65.5 |
0.3 |
0.797 |
1 |
1 |
0 |
0.000 |
11 |
15 |
|
E |
4 |
3 |
3161 |
x |
E |
x-1,y,z |
1_455 |
6 |
3 |
3161 |
63.2 |
-1.7 |
0.364 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[ACE]B:0 |
3 |
1 |
170 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
3050 |
62.0 |
-0.5 |
0.815 |
3 |
0 |
0 |
0.204 |
13 |
17 |
|
[NH2]E:31 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
5 |
3 |
3161 |
54.8 |
0.9 |
0.852 |
0 |
0 |
0 |
0.000 |
18 |
|
[NH2]B:31 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
5 |
3 |
3050 |
54.1 |
0.9 |
0.850 |
0 |
0 |
0 |
0.000 |
Average: |
54.4 |
0.9 |
0.851 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
C |
6 |
2 |
2960 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
3122 |
53.7 |
-0.9 |
0.539 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
B |
3 |
2 |
3050 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
3 |
2960 |
53.6 |
-0.2 |
0.692 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
D |
8 |
4 |
3035 |
◊ |
[NH2]A:31 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
45.7 |
0.5 |
0.847 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
C |
4 |
3 |
2960 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
3035 |
43.5 |
0.1 |
0.787 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
E |
3 |
1 |
3161 |
◊ |
E |
x,-y,-z+1 |
2_556 |
3 |
1 |
3161 |
40.0 |
-0.2 |
0.689 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
B |
6 |
2 |
3050 |
◊ |
A |
-x+2,-y+1/2,z-1/2 |
4_754 |
2 |
2 |
3122 |
37.7 |
1.3 |
0.836 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[ACE]B:0 |
3 |
1 |
170 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
2960 |
37.3 |
-0.9 |
0.690 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[NH2]A:31 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
4 |
2 |
3122 |
35.8 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[ACE]B:0 |
1 |
1 |
170 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
3050 |
31.5 |
-0.9 |
0.589 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
B |
4 |
2 |
3050 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
3035 |
30.7 |
-0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
E |
5 |
3 |
3161 |
◊ |
D |
-x+2,y-1/2,-z+3/2 |
3_746 |
4 |
1 |
3035 |
27.9 |
-0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[ACE]B:0 |
2 |
1 |
170 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
3161 |
26.6 |
-0.6 |
0.738 |
0 |
0 |
0 |
0.008 |
26 |
31 |
|
E |
3 |
2 |
3161 |
◊ |
C |
-x+1,-y+1/2,z-1/2 |
4_654 |
3 |
2 |
2960 |
26.1 |
1.0 |
0.895 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[NH2]B:31 |
1 |
1 |
117 |
◊ |
D |
-x+2,-y+1/2,z-1/2 |
4_754 |
4 |
2 |
3035 |
22.4 |
-0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
A |
5 |
2 |
3122 |
◊ |
[NH2]E:31 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
20.8 |
0.1 |
0.847 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
C |
3 |
3 |
2960 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
3122 |
17.2 |
-0.5 |
0.541 |
0 |
0 |
0 |
0.029 |
35 |
|
B |
3 |
3 |
3050 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
3122 |
16.7 |
-0.5 |
0.550 |
0 |
0 |
0 |
0.029 |
36 |
|
D |
3 |
3 |
3035 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
3050 |
15.2 |
-0.5 |
0.572 |
0 |
0 |
0 |
0.029 |
37 |
|
E |
3 |
3 |
3161 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
2960 |
14.9 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.029 |
38 |
|
E |
3 |
3 |
3161 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
3035 |
13.6 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.029 |
Average: |
15.5 |
-0.5 |
0.568 |
0 |
0 |
0 |
0.029 |
30 |
39 |
|
B |
1 |
1 |
3050 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
3122 |
15.6 |
-0.3 |
0.467 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
C |
1 |
1 |
2960 |
◊ |
[NH2]A:31 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
9.8 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
E |
1 |
1 |
3161 |
◊ |
D |
-x+1,-y+1/2,z-1/2 |
4_654 |
1 |
1 |
3035 |
9.6 |
0.5 |
0.900 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
D |
1 |
1 |
3035 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
3161 |
8.3 |
-0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
B |
1 |
1 |
3050 |
x |
B |
x-1,y,z |
1_455 |
2 |
2 |
3050 |
6.2 |
-0.0 |
0.735 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
B |
1 |
1 |
3050 |
◊ |
C |
-x+1,-y+1/2,z-1/2 |
4_654 |
1 |
1 |
2960 |
5.4 |
-0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
E |
1 |
1 |
3161 |
◊ |
[NH2]E:31 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
2.8 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[ACE]B:0 |
2 |
1 |
170 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
3035 |
2.5 |
-0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
C |
1 |
1 |
2960 |
◊ |
D |
-x+2,-y+1/2,z-1/2 |
4_754 |
1 |
1 |
3035 |
1.2 |
0.1 |
0.822 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
D |
1 |
1 |
3035 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
3050 |
0.8 |
0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
|