## |
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 |
|
F |
71 |
19 |
3093 |
◊ |
C |
x,y,z |
1_555 |
95 |
20 |
3049 |
712.8 |
-13.5 |
0.396 |
3 |
3 |
0 |
0.913 |
2 |
2 |
|
E |
65 |
16 |
3059 |
◊ |
D |
x,y,z |
1_555 |
86 |
18 |
3097 |
657.5 |
-10.1 |
0.568 |
3 |
5 |
0 |
0.232 |
3 |
3 |
|
C |
70 |
18 |
3049 |
◊ |
A |
x,y,z |
1_555 |
82 |
18 |
3111 |
657.3 |
-9.3 |
0.577 |
4 |
5 |
0 |
0.246 |
4 |
4 |
|
D |
65 |
17 |
3097 |
◊ |
B |
x,y,z |
1_555 |
65 |
17 |
3076 |
603.6 |
-16.2 |
0.166 |
1 |
0 |
0 |
0.909 |
5 |
5 |
|
E |
75 |
16 |
3059 |
◊ |
A |
x,y,z |
1_555 |
63 |
16 |
3111 |
596.0 |
-13.0 |
0.316 |
1 |
2 |
0 |
0.826 |
6 |
6 |
|
F |
55 |
12 |
3093 |
◊ |
B |
x,y,z |
1_555 |
59 |
12 |
3076 |
455.0 |
-10.8 |
0.330 |
1 |
0 |
0 |
0.231 |
7 |
7 |
|
D |
23 |
4 |
3097 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
3111 |
176.2 |
-3.2 |
0.465 |
2 |
0 |
0 |
0.078 |
8 |
8 |
|
A |
24 |
8 |
3111 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
24 |
5 |
3093 |
172.7 |
0.9 |
0.886 |
1 |
2 |
0 |
0.000 |
9 |
9 |
|
B |
19 |
6 |
3076 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
5 |
3076 |
171.1 |
-0.5 |
0.795 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
E |
19 |
4 |
3059 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
13 |
4 |
3093 |
153.7 |
-1.2 |
0.711 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
E |
9 |
2 |
3059 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
4 |
3049 |
124.6 |
-0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
F |
15 |
7 |
3093 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
3111 |
121.9 |
-2.0 |
0.521 |
0 |
0 |
0 |
0.042 |
13 |
13 |
|
F |
12 |
5 |
3093 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
4 |
3076 |
104.6 |
-1.0 |
0.685 |
3 |
0 |
0 |
0.000 |
14 |
14 |
|
B |
10 |
5 |
3076 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
3111 |
97.7 |
0.3 |
0.827 |
2 |
0 |
0 |
0.010 |
15 |
15 |
|
E |
13 |
3 |
3059 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
3076 |
97.6 |
-1.1 |
0.681 |
1 |
0 |
0 |
0.000 |
16 |
16 |
|
[GOL]A:101 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
3111 |
93.3 |
-0.2 |
0.609 |
1 |
0 |
0 |
0.100 |
17 |
17 |
|
F |
15 |
4 |
3093 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
3097 |
88.6 |
-1.3 |
0.649 |
0 |
0 |
0 |
0.028 |
18 |
18 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
3049 |
73.8 |
-0.6 |
0.811 |
3 |
0 |
0 |
0.119 |
19 |
19 |
|
[ACE]B:0 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
3076 |
71.4 |
-0.3 |
0.830 |
2 |
0 |
0 |
0.100 |
20 |
20 |
|
C |
9 |
4 |
3049 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
3 |
3097 |
66.1 |
-1.0 |
0.596 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
C |
7 |
3 |
3049 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
3076 |
65.9 |
-0.5 |
0.670 |
0 |
0 |
0 |
0.000 |
22 |
22 |
|
F |
8 |
2 |
3093 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
1 |
3111 |
64.5 |
-1.7 |
0.361 |
0 |
0 |
0 |
0.000 |
23 |
23 |
|
C |
8 |
3 |
3049 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
3111 |
64.4 |
-1.6 |
0.397 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[ACE]E:0 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
8 |
4 |
3059 |
63.5 |
-0.3 |
0.822 |
2 |
0 |
0 |
0.100 |
25 |
25 |
|
A |
9 |
4 |
3111 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
8 |
4 |
3049 |
59.0 |
1.1 |
0.856 |
1 |
0 |
0 |
0.000 |
26 |
26 |
|
F |
5 |
2 |
3093 |
x |
F |
x-1,y,z |
1_455 |
9 |
4 |
3093 |
58.9 |
-0.3 |
0.704 |
3 |
0 |
0 |
0.000 |
27 |
27 |
|
E |
5 |
2 |
3059 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
8 |
2 |
3097 |
57.1 |
-0.3 |
0.687 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
D |
7 |
2 |
3097 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
3076 |
57.1 |
0.5 |
0.827 |
1 |
0 |
0 |
0.000 |
29 |
29 |
|
C |
7 |
3 |
3049 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
9 |
4 |
3093 |
56.1 |
1.7 |
0.909 |
0 |
0 |
0 |
0.000 |
30 |
30 |
|
D |
7 |
3 |
3097 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
8 |
4 |
3111 |
53.6 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
31 |
31 |
|
[GOL]A:101 |
4 |
1 |
220 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
6 |
2 |
3093 |
53.5 |
0.0 |
0.598 |
1 |
0 |
0 |
0.000 |
32 |
32 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
3111 |
50.5 |
-1.1 |
0.710 |
0 |
0 |
0 |
0.023 |
33 |
33 |
|
D |
5 |
2 |
3097 |
◊ |
C |
-x+2,y-1/2,-z+3/2 |
3_746 |
7 |
2 |
3049 |
50.2 |
0.1 |
0.772 |
1 |
0 |
0 |
0.000 |
34 |
34 |
|
E |
4 |
2 |
3059 |
x |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
1 |
3059 |
42.0 |
1.5 |
0.881 |
1 |
1 |
0 |
0.000 |
35 |
35 |
|
C |
3 |
1 |
3049 |
x |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
3049 |
41.1 |
-0.7 |
0.463 |
0 |
0 |
0 |
0.000 |
36 |
36 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
3097 |
41.0 |
-0.8 |
0.740 |
0 |
0 |
0 |
0.016 |
37 |
37 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
3111 |
40.9 |
0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
38 |
38 |
|
C |
16 |
4 |
3049 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
3076 |
39.4 |
-0.8 |
0.717 |
0 |
0 |
0 |
0.017 |
39 |
39 |
|
[NH2]F:31 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
6 |
4 |
3093 |
38.6 |
0.5 |
0.827 |
0 |
0 |
0 |
0.000 |
40 |
|
[NH2]C:31 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
3 |
1 |
3049 |
34.5 |
0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
36.5 |
0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
F |
5 |
2 |
3093 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
3049 |
37.1 |
-0.5 |
0.642 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
D |
3 |
3 |
3097 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
3049 |
36.9 |
0.4 |
0.839 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[GOL]A:101 |
2 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
3059 |
35.9 |
-0.5 |
0.594 |
0 |
0 |
0 |
0.031 |
43 |
44 |
|
[ACE]B:0 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
3097 |
34.9 |
-0.5 |
0.713 |
0 |
0 |
0 |
0.026 |
44 |
45 |
|
A |
4 |
2 |
3111 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
3097 |
33.6 |
-0.4 |
0.595 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
A |
2 |
1 |
3111 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
1 |
3076 |
33.4 |
1.0 |
0.891 |
1 |
2 |
0 |
0.000 |
46 |
47 |
|
[NH2]F:31 |
1 |
1 |
117 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
4 |
3093 |
31.4 |
0.2 |
0.847 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[GOL]A:101 |
4 |
1 |
220 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
1 |
3076 |
29.0 |
0.5 |
0.725 |
1 |
0 |
0 |
0.000 |
48 |
49 |
|
E |
2 |
1 |
3059 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
1 |
3111 |
28.7 |
1.0 |
0.873 |
1 |
1 |
0 |
0.000 |
49 |
50 |
|
C |
3 |
2 |
3049 |
◊ |
[ACE]E:0 |
x-1,y,z |
1_455 |
1 |
1 |
171 |
23.0 |
-0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
E |
5 |
2 |
3059 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
1 |
3049 |
21.0 |
0.6 |
0.835 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[NH2]F:31 |
1 |
1 |
117 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
3076 |
18.6 |
-0.0 |
0.753 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[ACE]B:0 |
1 |
1 |
172 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
3093 |
16.6 |
-0.5 |
0.641 |
0 |
0 |
0 |
0.010 |
53 |
54 |
|
[ACE]E:0 |
1 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3111 |
14.8 |
-0.5 |
0.371 |
0 |
0 |
0 |
0.029 |
54 |
55 |
|
E |
2 |
2 |
3059 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
3076 |
14.5 |
-0.1 |
0.711 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
F |
4 |
3 |
3093 |
◊ |
E |
x,y,z |
1_555 |
3 |
3 |
3059 |
12.1 |
0.3 |
0.806 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
B |
2 |
1 |
3076 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
3093 |
11.4 |
0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
[ACE]E:0 |
x-1,y,z |
1_455 |
1 |
1 |
171 |
11.1 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
D |
3 |
2 |
3097 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
3093 |
10.9 |
0.0 |
0.746 |
0 |
0 |
0 |
0.000 |
59 |
60 |
|
[NH2]F:31 |
1 |
1 |
117 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
3049 |
10.8 |
-0.1 |
0.799 |
0 |
0 |
0 |
0.000 |
61 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
1 |
3097 |
9.7 |
-0.0 |
0.834 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
-0.0 |
0.817 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
D |
2 |
2 |
3097 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
3076 |
8.8 |
-0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
A |
2 |
1 |
3111 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
3076 |
8.2 |
0.1 |
0.830 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
F |
1 |
1 |
3093 |
◊ |
[ACE]C:0 |
x-1,y,z |
1_455 |
1 |
1 |
171 |
6.7 |
0.2 |
0.760 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
F |
1 |
1 |
3093 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
3097 |
6.7 |
-0.2 |
0.458 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[ACE]B:0 |
1 |
1 |
172 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
3076 |
5.9 |
-0.0 |
0.760 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
E |
3 |
2 |
3059 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
3049 |
4.6 |
-0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
66 |
68 |
|
E |
1 |
1 |
3059 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
3076 |
2.7 |
0.1 |
0.832 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
D |
2 |
2 |
3097 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
3049 |
2.3 |
0.1 |
0.800 |
0 |
0 |
0 |
0.000 |
68 |
70 |
|
C |
1 |
1 |
3049 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
3059 |
1.8 |
0.0 |
0.813 |
0 |
0 |
0 |
0.000 |
69 |
71 |
|
[NH2]F:31 |
1 |
1 |
117 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
3111 |
0.4 |
-0.0 |
0.822 |
0 |
0 |
0 |
0.000 |
|