## |
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 |
|
D |
78 |
17 |
3092 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
3131 |
700.4 |
-12.4 |
0.226 |
3 |
2 |
0 |
0.866 |
2 |
|
C |
75 |
17 |
3164 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
3121 |
670.1 |
-10.9 |
0.249 |
5 |
2 |
0 |
0.866 |
Average: |
685.2 |
-11.6 |
0.238 |
4 |
2 |
0 |
0.866 |
2 |
3 |
|
C |
51 |
16 |
3164 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
3131 |
546.2 |
-10.1 |
0.171 |
4 |
0 |
0 |
0.854 |
3 |
4 |
|
B |
58 |
12 |
3131 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
58 |
12 |
3121 |
527.7 |
-4.9 |
0.701 |
4 |
1 |
0 |
0.211 |
4 |
5 |
|
D |
60 |
16 |
3092 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
3121 |
512.1 |
-8.4 |
0.300 |
1 |
0 |
0 |
0.791 |
5 |
6 |
|
D |
41 |
9 |
3092 |
◊ |
C |
x-1,y,z |
1_455 |
38 |
10 |
3164 |
341.4 |
-3.0 |
0.694 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
36 |
6 |
3164 |
◊ |
D |
x,y,z-1 |
1_554 |
30 |
7 |
3092 |
260.3 |
-2.5 |
0.664 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
D |
15 |
8 |
3092 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
3164 |
151.3 |
-4.8 |
0.097 |
0 |
0 |
0 |
0.082 |
8 |
9 |
|
B |
15 |
3 |
3131 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
3 |
3121 |
123.7 |
0.5 |
0.796 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
D |
9 |
4 |
3092 |
◊ |
B |
x-1,y,z-1 |
1_454 |
10 |
4 |
3131 |
96.7 |
-0.5 |
0.591 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
12 |
4 |
3131 |
◊ |
C |
x-1,y,z-1 |
1_454 |
8 |
3 |
3164 |
81.1 |
-0.9 |
0.582 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
3131 |
74.1 |
-1.1 |
0.750 |
0 |
0 |
0 |
0.100 |
12 |
13 |
|
A |
12 |
4 |
3121 |
x |
A |
x-1,y,z-1 |
1_454 |
8 |
3 |
3121 |
71.7 |
-0.6 |
0.646 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
6 |
2 |
3164 |
x |
C |
x-1,y,z-1 |
1_454 |
5 |
2 |
3164 |
53.1 |
0.7 |
0.816 |
1 |
0 |
0 |
0.000 |
15 |
|
D |
8 |
2 |
3092 |
x |
D |
x-1,y,z-1 |
1_454 |
3 |
2 |
3092 |
44.9 |
-0.2 |
0.637 |
1 |
0 |
0 |
0.000 |
Average: |
56.6 |
-0.0 |
0.700 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
C |
10 |
3 |
3164 |
◊ |
A |
x-1,y,z-1 |
1_454 |
8 |
3 |
3121 |
67.1 |
-0.6 |
0.571 |
3 |
0 |
0 |
0.000 |
14 |
17 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
3164 |
59.2 |
-1.0 |
0.697 |
0 |
0 |
0 |
0.106 |
15 |
18 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
3121 |
57.6 |
-0.4 |
0.792 |
2 |
0 |
0 |
0.113 |
16 |
19 |
|
C |
5 |
1 |
3164 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
3121 |
54.8 |
0.5 |
0.771 |
1 |
2 |
0 |
0.009 |
17 |
20 |
|
D |
7 |
4 |
3092 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
3 |
3121 |
53.8 |
1.7 |
0.910 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[ACE]D:0 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
3092 |
53.8 |
-0.5 |
0.783 |
1 |
0 |
0 |
0.100 |
19 |
22 |
|
B |
7 |
3 |
3131 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
5 |
2 |
3092 |
49.3 |
0.1 |
0.716 |
0 |
1 |
0 |
0.002 |
20 |
23 |
|
A |
9 |
3 |
3121 |
◊ |
[ACE]A:0 |
x-1,y,z-1 |
1_454 |
3 |
1 |
171 |
48.7 |
-0.8 |
0.707 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
D |
6 |
2 |
3092 |
◊ |
[ACE]D:0 |
x-1,y,z-1 |
1_454 |
3 |
1 |
172 |
43.7 |
-0.6 |
0.721 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[NH2]C:31 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
3 |
1 |
3164 |
36.3 |
0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
A |
7 |
2 |
3121 |
◊ |
D |
x-1,y,z-1 |
1_454 |
5 |
3 |
3092 |
35.7 |
-0.3 |
0.613 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
D |
2 |
1 |
3092 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
3 |
3121 |
34.5 |
0.5 |
0.795 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
C |
7 |
3 |
3164 |
◊ |
[ACE]C:0 |
x-1,y,z-1 |
1_454 |
3 |
1 |
171 |
34.2 |
-0.1 |
0.817 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
C |
7 |
2 |
3164 |
◊ |
[ACE]A:0 |
x-1,y,z-1 |
1_454 |
2 |
1 |
171 |
31.8 |
-0.7 |
0.658 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
A |
6 |
1 |
3121 |
◊ |
[ACE]D:0 |
x-1,y,z-1 |
1_454 |
1 |
1 |
172 |
31.7 |
-0.7 |
0.645 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
B |
3 |
1 |
3131 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
3092 |
29.8 |
0.3 |
0.595 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
1 |
3092 |
29.8 |
0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
B |
6 |
1 |
3131 |
◊ |
[ACE]C:0 |
x-1,y,z-1 |
1_454 |
3 |
1 |
171 |
29.4 |
-0.0 |
0.810 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
3164 |
26.3 |
0.2 |
0.923 |
1 |
0 |
0 |
0.000 |
32 |
35 |
|
[ACE]C:0 |
2 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
3121 |
24.8 |
-0.7 |
0.537 |
0 |
0 |
0 |
0.044 |
33 |
36 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
1 |
3164 |
22.4 |
0.6 |
0.909 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[ACE]B:0 |
2 |
1 |
171 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
3121 |
19.3 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.003 |
35 |
38 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
3121 |
19.1 |
-0.1 |
0.417 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
B |
2 |
2 |
3131 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
4 |
3 |
3164 |
18.1 |
0.8 |
0.848 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3131 |
17.6 |
-0.2 |
0.558 |
0 |
0 |
0 |
0.012 |
38 |
41 |
|
B |
5 |
4 |
3131 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
3121 |
16.6 |
-0.5 |
0.552 |
0 |
0 |
0 |
0.009 |
39 |
42 |
|
D |
3 |
1 |
3092 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
3164 |
14.2 |
-0.4 |
0.331 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
B |
1 |
1 |
3131 |
x |
B |
x-1,y,z-1 |
1_454 |
2 |
1 |
3131 |
13.9 |
0.3 |
0.800 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
D |
2 |
2 |
3092 |
◊ |
[ACE]B:0 |
x-1,y,z-1 |
1_454 |
2 |
1 |
171 |
13.6 |
-0.1 |
0.825 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
B |
2 |
1 |
3131 |
x |
B |
x,y,z-1 |
1_554 |
4 |
2 |
3131 |
12.5 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
C |
4 |
1 |
3164 |
◊ |
[ACE]D:0 |
x,y,z-1 |
1_554 |
1 |
1 |
172 |
11.6 |
-0.4 |
0.621 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[ACE]A:0 |
1 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
3092 |
5.3 |
-0.2 |
0.498 |
0 |
0 |
0 |
0.015 |
45 |
48 |
|
B |
1 |
1 |
3131 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
3121 |
3.5 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
C |
1 |
1 |
3164 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
3131 |
1.1 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
|