## |
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 |
16 |
3002 |
◊ |
D |
x,y,z |
1_555 |
61 |
16 |
2967 |
678.8 |
-14.6 |
0.393 |
1 |
1 |
0 |
0.959 |
2 |
|
C |
70 |
17 |
3016 |
◊ |
B |
x,y,z |
1_555 |
62 |
17 |
2985 |
678.1 |
-14.6 |
0.414 |
1 |
1 |
0 |
0.959 |
3 |
|
E |
61 |
16 |
3019 |
◊ |
A |
x,y,z |
1_555 |
69 |
16 |
3035 |
670.1 |
-14.6 |
0.377 |
1 |
0 |
0 |
0.959 |
4 |
|
E |
70 |
17 |
3019 |
◊ |
C |
x,y,z |
1_555 |
60 |
16 |
3016 |
667.5 |
-13.9 |
0.417 |
1 |
1 |
0 |
0.959 |
5 |
|
F |
64 |
17 |
3002 |
◊ |
B |
x,y,z |
1_555 |
73 |
16 |
2985 |
665.9 |
-14.2 |
0.476 |
1 |
0 |
0 |
0.959 |
6 |
|
D |
69 |
17 |
2967 |
◊ |
A |
x,y,z |
1_555 |
62 |
16 |
3035 |
662.9 |
-15.1 |
0.337 |
1 |
0 |
0 |
0.959 |
Average: |
670.5 |
-14.5 |
0.402 |
1 |
1 |
0 |
0.959 |
2 |
7 |
|
D |
12 |
4 |
2967 |
x |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
17 |
5 |
2967 |
128.1 |
-0.9 |
0.711 |
0 |
0 |
0 |
0.000 |
3 |
8 |
|
C |
13 |
3 |
3016 |
◊ |
F |
x-1/2,-y+1/2,-z |
3_455 |
14 |
4 |
3002 |
123.8 |
-1.4 |
0.666 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
E |
12 |
4 |
3019 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
10 |
3 |
2985 |
112.9 |
2.5 |
0.906 |
2 |
0 |
0 |
0.000 |
5 |
10 |
|
A |
10 |
4 |
3035 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
9 |
4 |
2967 |
104.1 |
1.6 |
0.881 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
F |
8 |
3 |
3002 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
8 |
3 |
2967 |
80.2 |
1.5 |
0.875 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
7 |
3 |
3016 |
75.0 |
-0.8 |
0.772 |
0 |
0 |
0 |
0.100 |
8 |
13 |
|
[ACE]D:0 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
8 |
3 |
2967 |
73.3 |
-0.9 |
0.738 |
1 |
0 |
0 |
0.176 |
9 |
14 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
3035 |
72.4 |
-0.8 |
0.756 |
1 |
0 |
0 |
0.230 |
10 |
15 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
2985 |
71.3 |
-0.8 |
0.754 |
0 |
0 |
0 |
0.294 |
16 |
|
[ACE]F:0 |
3 |
1 |
171 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
3002 |
69.7 |
-0.8 |
0.750 |
0 |
0 |
0 |
0.294 |
17 |
|
[ACE]E:0 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
7 |
2 |
3019 |
68.7 |
-0.8 |
0.744 |
0 |
0 |
0 |
0.294 |
Average: |
69.9 |
-0.8 |
0.749 |
0 |
0 |
0 |
0.294 |
11 |
18 |
|
E |
8 |
3 |
3019 |
◊ |
D |
-x+1,-y,z |
2_655 |
8 |
3 |
2967 |
67.5 |
-1.4 |
0.545 |
0 |
0 |
0 |
0.036 |
19 |
|
B |
9 |
4 |
2985 |
◊ |
B |
-x+1,-y,z |
2_655 |
9 |
4 |
2985 |
66.1 |
-1.5 |
0.575 |
0 |
0 |
0 |
0.036 |
20 |
|
F |
8 |
4 |
3002 |
◊ |
C |
-x+1,-y,z |
2_655 |
9 |
4 |
3016 |
58.9 |
-1.3 |
0.602 |
0 |
0 |
0 |
0.036 |
21 |
|
A |
7 |
3 |
3035 |
◊ |
A |
-x+1,-y,z |
2_655 |
7 |
3 |
3035 |
54.3 |
-0.8 |
0.646 |
0 |
0 |
0 |
0.036 |
Average: |
61.7 |
-1.2 |
0.592 |
0 |
0 |
0 |
0.036 |
12 |
22 |
|
[NH2]A:31 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
6 |
4 |
3035 |
55.4 |
0.7 |
0.824 |
0 |
0 |
0 |
0.000 |
23 |
|
[NH2]E:31 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
6 |
4 |
3019 |
51.6 |
0.5 |
0.809 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]D:31 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
7 |
4 |
2967 |
51.3 |
0.6 |
0.821 |
0 |
0 |
0 |
0.000 |
25 |
|
[NH2]F:31 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
4 |
2 |
3002 |
50.0 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
26 |
|
[NH2]B:31 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
4 |
2 |
2985 |
49.2 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
27 |
|
[NH2]C:31 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
3 |
1 |
3016 |
44.5 |
0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
Average: |
50.3 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
D |
7 |
2 |
2967 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
3_456 |
5 |
3 |
3002 |
47.3 |
-0.3 |
0.584 |
0 |
0 |
0 |
0.000 |
14 |
29 |
|
[NH2]E:31 |
1 |
1 |
117 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
5 |
2 |
2985 |
39.9 |
1.0 |
0.931 |
0 |
0 |
0 |
0.000 |
15 |
30 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
[ACE]B:0 |
-x+1,-y,z |
2_655 |
3 |
1 |
171 |
39.2 |
-0.8 |
0.852 |
0 |
0 |
0 |
0.004 |
16 |
31 |
|
[ACE]F:0 |
3 |
1 |
171 |
◊ |
[ACE]C:0 |
-x+1,-y,z |
2_655 |
3 |
1 |
172 |
38.7 |
-0.8 |
0.852 |
0 |
0 |
0 |
0.008 |
17 |
32 |
|
[NH2]D:31 |
1 |
1 |
117 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
11 |
4 |
2967 |
37.8 |
-0.0 |
0.813 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
[ACE]A:0 |
3 |
1 |
171 |
◊ |
A |
-x+1,-y,z |
2_655 |
2 |
1 |
3035 |
36.6 |
-0.4 |
0.735 |
0 |
0 |
0 |
0.004 |
19 |
34 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
F |
x-1/2,-y+1/2,-z |
3_455 |
5 |
4 |
3002 |
36.5 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
E |
-x+1,-y,z |
2_655 |
2 |
1 |
3019 |
35.4 |
-0.5 |
0.662 |
0 |
0 |
0 |
0.004 |
21 |
36 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
F |
-x+1,-y,z |
2_655 |
2 |
1 |
3002 |
34.6 |
-0.1 |
0.767 |
0 |
0 |
0 |
0.001 |
22 |
37 |
|
[ACE]A:0 |
3 |
1 |
171 |
◊ |
[ACE]A:0 |
-x+1,-y,z |
2_655 |
3 |
1 |
171 |
34.2 |
-0.8 |
0.852 |
0 |
0 |
0 |
0.004 |
23 |
38 |
|
[NH2]A:31 |
1 |
1 |
117 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
6 |
3 |
2967 |
33.9 |
0.9 |
0.919 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
D |
-x+1,-y,z |
2_655 |
2 |
1 |
2967 |
33.5 |
-0.0 |
0.840 |
0 |
0 |
0 |
0.001 |
40 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
1 |
2985 |
33.1 |
-0.1 |
0.766 |
0 |
0 |
0 |
0.001 |
41 |
|
[ACE]F:0 |
3 |
1 |
171 |
◊ |
C |
-x+1,-y,z |
2_655 |
2 |
1 |
3016 |
32.6 |
-0.0 |
0.804 |
0 |
0 |
0 |
0.001 |
Average: |
33.1 |
-0.0 |
0.803 |
0 |
0 |
0 |
0.001 |
25 |
42 |
|
[NH2]F:31 |
1 |
1 |
117 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
4 |
2 |
2967 |
33.4 |
1.4 |
0.959 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
[ACE]D:0 |
-x+1,-y,z |
2_655 |
3 |
1 |
171 |
33.1 |
-0.8 |
0.852 |
0 |
0 |
0 |
0.008 |
27 |
44 |
|
C |
1 |
1 |
3016 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
2985 |
30.9 |
-1.0 |
0.162 |
0 |
0 |
0 |
0.028 |
45 |
|
F |
1 |
1 |
3002 |
◊ |
E |
-x+1,-y,z |
2_655 |
1 |
1 |
3019 |
30.9 |
-1.0 |
0.150 |
0 |
0 |
0 |
0.028 |
46 |
|
D |
1 |
1 |
2967 |
◊ |
A |
-x+1,-y,z |
2_655 |
1 |
1 |
3035 |
30.1 |
-1.0 |
0.157 |
0 |
0 |
0 |
0.028 |
Average: |
30.6 |
-1.0 |
0.156 |
0 |
0 |
0 |
0.028 |
28 |
47 |
|
[NH2]B:31 |
1 |
1 |
117 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
2985 |
29.5 |
0.4 |
0.864 |
0 |
0 |
0 |
0.000 |
29 |
48 |
|
A |
4 |
1 |
3035 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
3_456 |
2 |
1 |
3002 |
28.2 |
1.3 |
0.882 |
1 |
0 |
0 |
0.000 |
30 |
49 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
4 |
2 |
2985 |
24.0 |
-0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
C |
3 |
2 |
3016 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
2967 |
21.8 |
0.7 |
0.825 |
0 |
0 |
0 |
0.000 |
32 |
51 |
|
B |
2 |
1 |
2985 |
x |
B |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
2985 |
21.6 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
C |
2 |
1 |
3016 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
2 |
2 |
2985 |
16.3 |
-0.5 |
0.446 |
0 |
0 |
0 |
0.000 |
34 |
53 |
|
[ACE]D:0 |
2 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
3035 |
16.1 |
-0.1 |
0.751 |
0 |
0 |
0 |
0.002 |
35 |
54 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
3019 |
14.9 |
-0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[NH2]B:31 |
1 |
1 |
117 |
◊ |
F |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
3002 |
7.1 |
0.2 |
0.932 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[ACE]C:0 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2985 |
6.1 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
B |
2 |
1 |
2985 |
◊ |
F |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
3002 |
4.8 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
F |
2 |
2 |
3002 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
2 |
2985 |
4.7 |
-0.2 |
0.624 |
0 |
0 |
0 |
0.003 |
59 |
|
E |
2 |
2 |
3019 |
◊ |
A |
-x+1,-y,z |
2_655 |
2 |
2 |
3035 |
4.1 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.003 |
60 |
|
D |
1 |
1 |
2967 |
◊ |
C |
-x+1,-y,z |
2_655 |
1 |
1 |
3016 |
1.9 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.003 |
Average: |
3.6 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.003 |
40 |
61 |
|
[ACE]B:0 |
1 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
3002 |
3.7 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
62 |
|
[ACE]E:0 |
1 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3016 |
2.8 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
63 |
|
[ACE]F:0 |
1 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2967 |
1.0 |
0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
41 |
64 |
|
C |
1 |
1 |
3016 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
3035 |
3.1 |
0.1 |
0.833 |
0 |
0 |
0 |
0.000 |
42 |
65 |
|
[NH2]D:31 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
3002 |
2.9 |
0.1 |
0.896 |
0 |
0 |
0 |
0.000 |
|