## |
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 |
57 |
13 |
3155 |
◊ |
A |
x,y,z |
1_555 |
56 |
12 |
3207 |
589.4 |
-10.4 |
0.402 |
0 |
0 |
0 |
0.938 |
2 |
|
G |
58 |
14 |
3184 |
◊ |
F |
x,y,z |
1_555 |
57 |
13 |
3201 |
581.0 |
-10.2 |
0.474 |
0 |
0 |
0 |
0.938 |
3 |
|
D |
57 |
13 |
3149 |
◊ |
C |
x,y,z |
1_555 |
56 |
12 |
3176 |
580.7 |
-10.2 |
0.465 |
1 |
0 |
0 |
0.938 |
4 |
|
H |
58 |
14 |
3177 |
◊ |
E |
x,y,z |
1_555 |
58 |
13 |
3199 |
577.9 |
-9.7 |
0.517 |
2 |
0 |
0 |
0.938 |
Average: |
582.3 |
-10.1 |
0.464 |
1 |
0 |
0 |
0.938 |
2 |
5 |
|
F |
65 |
14 |
3201 |
◊ |
E |
x,y,z |
1_555 |
67 |
16 |
3199 |
524.2 |
-15.5 |
0.143 |
0 |
0 |
0 |
0.878 |
6 |
|
H |
67 |
16 |
3177 |
◊ |
G |
x,y,z |
1_555 |
65 |
15 |
3184 |
515.7 |
-15.6 |
0.167 |
0 |
0 |
0 |
0.878 |
7 |
|
D |
66 |
14 |
3149 |
◊ |
A |
x,y,z |
1_555 |
65 |
15 |
3207 |
514.9 |
-15.6 |
0.141 |
0 |
0 |
0 |
0.878 |
8 |
|
C |
65 |
15 |
3176 |
◊ |
B |
x,y,z |
1_555 |
64 |
15 |
3155 |
510.5 |
-15.6 |
0.131 |
0 |
0 |
0 |
0.878 |
Average: |
516.3 |
-15.6 |
0.145 |
0 |
0 |
0 |
0.878 |
3 |
9 |
|
G |
31 |
6 |
3184 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
35 |
8 |
3207 |
308.5 |
-2.3 |
0.803 |
1 |
3 |
0 |
0.000 |
10 |
|
E |
30 |
6 |
3199 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
3155 |
298.0 |
-3.0 |
0.762 |
1 |
2 |
0 |
0.000 |
11 |
|
H |
29 |
6 |
3177 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
9 |
3176 |
288.4 |
-3.1 |
0.717 |
0 |
1 |
0 |
0.000 |
Average: |
298.3 |
-2.8 |
0.761 |
1 |
2 |
0 |
0.000 |
4 |
12 |
|
F |
31 |
6 |
3201 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
28 |
6 |
3149 |
265.5 |
-1.6 |
0.831 |
0 |
1 |
0 |
0.023 |
5 |
13 |
|
G |
17 |
8 |
3184 |
◊ |
E |
x,y,z |
1_555 |
14 |
7 |
3199 |
136.6 |
-4.4 |
0.175 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
14 |
8 |
3149 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
3155 |
135.3 |
-4.3 |
0.130 |
0 |
0 |
0 |
0.000 |
15 |
|
H |
13 |
7 |
3177 |
◊ |
F |
x,y,z |
1_555 |
14 |
8 |
3201 |
135.0 |
-4.3 |
0.137 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
13 |
7 |
3176 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
3207 |
133.1 |
-4.3 |
0.137 |
0 |
0 |
0 |
0.000 |
Average: |
135.0 |
-4.3 |
0.145 |
0 |
0 |
0 |
0.000 |
6 |
17 |
|
F |
13 |
4 |
3201 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
3 |
3155 |
114.5 |
-0.6 |
0.751 |
1 |
0 |
0 |
0.046 |
18 |
|
C |
14 |
3 |
3176 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
3 |
3184 |
107.5 |
-1.1 |
0.680 |
1 |
0 |
0 |
0.046 |
Average: |
111.0 |
-0.8 |
0.715 |
1 |
0 |
0 |
0.046 |
7 |
19 |
|
G |
14 |
4 |
3184 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
3 |
3207 |
95.2 |
-0.6 |
0.750 |
1 |
0 |
0 |
0.000 |
8 |
20 |
|
D |
10 |
3 |
3149 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
4 |
3201 |
81.5 |
-0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
9 |
21 |
|
[ACE]F:0 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
6 |
3 |
3201 |
72.5 |
-1.4 |
0.744 |
0 |
0 |
0 |
0.111 |
10 |
22 |
|
E |
5 |
2 |
3199 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
3176 |
71.0 |
-0.6 |
0.646 |
0 |
0 |
0 |
0.011 |
11 |
23 |
|
A |
7 |
4 |
3207 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
2 |
3199 |
70.3 |
0.1 |
0.788 |
2 |
0 |
0 |
0.000 |
24 |
|
H |
5 |
3 |
3177 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
3149 |
45.9 |
-0.5 |
0.658 |
1 |
0 |
0 |
0.000 |
Average: |
58.1 |
-0.2 |
0.723 |
2 |
0 |
0 |
0.000 |
12 |
25 |
|
[ACE]G:0 |
3 |
1 |
171 |
cf |
G |
x,y,z |
1_555 |
6 |
3 |
3184 |
67.2 |
-0.8 |
0.757 |
0 |
0 |
0 |
0.088 |
13 |
26 |
|
[ACE]H:0 |
3 |
1 |
171 |
cf |
H |
x,y,z |
1_555 |
4 |
2 |
3177 |
66.3 |
-0.8 |
0.743 |
0 |
0 |
0 |
0.100 |
14 |
27 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
4 |
2 |
3176 |
63.1 |
-0.9 |
0.746 |
0 |
0 |
0 |
0.100 |
15 |
28 |
|
B |
9 |
3 |
3155 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
3 |
3177 |
62.6 |
-0.4 |
0.749 |
1 |
0 |
0 |
0.014 |
16 |
29 |
|
D |
11 |
3 |
3149 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
3 |
3199 |
62.1 |
-0.6 |
0.749 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[ACE]E:0 |
3 |
1 |
170 |
cf |
E |
x,y,z |
1_555 |
7 |
3 |
3199 |
61.6 |
-1.1 |
0.767 |
0 |
0 |
0 |
0.100 |
18 |
31 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
3207 |
58.7 |
-0.2 |
0.831 |
2 |
0 |
0 |
0.100 |
19 |
32 |
|
[ACE]D:0 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
9 |
4 |
3149 |
57.6 |
-1.1 |
0.772 |
0 |
0 |
0 |
0.100 |
20 |
33 |
|
[ACE]F:0 |
3 |
1 |
172 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
3155 |
48.4 |
-0.7 |
0.766 |
0 |
0 |
0 |
0.012 |
21 |
34 |
|
[NH2]E:31 |
1 |
1 |
117 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
3176 |
45.9 |
0.5 |
0.850 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[NH2]E:31 |
1 |
1 |
117 |
c |
E |
x,y,z |
1_555 |
3 |
1 |
3199 |
43.2 |
0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
36 |
|
[NH2]C:31 |
1 |
1 |
117 |
c |
C |
x,y,z |
1_555 |
3 |
1 |
3176 |
42.4 |
0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
37 |
|
[NH2]H:31 |
1 |
1 |
117 |
c |
H |
x,y,z |
1_555 |
3 |
1 |
3177 |
39.7 |
0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
38 |
|
C |
4 |
2 |
3176 |
◊ |
[NH2]H:31 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
117 |
23.7 |
0.2 |
0.843 |
0 |
0 |
0 |
0.000 |
Average: |
37.3 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
C |
7 |
2 |
3176 |
◊ |
[ACE]G:0 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
171 |
40.8 |
-1.0 |
0.790 |
0 |
0 |
0 |
0.017 |
24 |
40 |
|
G |
7 |
1 |
3184 |
◊ |
[ACE]A:0 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
171 |
40.8 |
-0.9 |
0.727 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
A |
7 |
3 |
3207 |
◊ |
[ACE]E:0 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
170 |
40.7 |
-0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[ACE]H:0 |
3 |
1 |
171 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
3 |
3149 |
39.7 |
0.1 |
0.905 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
2 |
3199 |
35.4 |
-0.8 |
0.714 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
F |
5 |
2 |
3201 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
6 |
2 |
3207 |
33.2 |
0.6 |
0.846 |
1 |
1 |
0 |
0.000 |
45 |
|
E |
4 |
2 |
3199 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
2 |
3149 |
27.1 |
0.8 |
0.879 |
1 |
1 |
0 |
0.000 |
Average: |
30.1 |
0.7 |
0.862 |
1 |
1 |
0 |
0.000 |
29 |
46 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
3201 |
32.9 |
-0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
H |
7 |
1 |
3177 |
◊ |
[ACE]A:0 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
171 |
32.0 |
-1.0 |
0.642 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
D |
6 |
3 |
3149 |
◊ |
[ACE]G:0 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
171 |
30.3 |
-0.9 |
0.646 |
0 |
0 |
0 |
0.000 |
32 |
49 |
|
G |
3 |
1 |
3184 |
◊ |
F |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
2 |
3201 |
30.2 |
0.5 |
0.664 |
0 |
0 |
0 |
0.000 |
33 |
50 |
|
E |
4 |
2 |
3199 |
◊ |
[ACE]C:0 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
171 |
29.4 |
0.4 |
0.864 |
0 |
0 |
0 |
0.000 |
34 |
51 |
|
D |
8 |
1 |
3149 |
◊ |
[ACE]E:0 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
170 |
29.2 |
-0.7 |
0.725 |
0 |
0 |
0 |
0.000 |
35 |
52 |
|
H |
3 |
1 |
3177 |
◊ |
F |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
3201 |
28.2 |
0.4 |
0.847 |
1 |
1 |
0 |
0.000 |
36 |
53 |
|
B |
5 |
2 |
3155 |
f |
[NH2]H:31 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
117 |
27.4 |
0.4 |
0.891 |
0 |
0 |
0 |
0.012 |
54 |
|
[NH2]C:31 |
1 |
1 |
117 |
f |
G |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
3184 |
24.8 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.012 |
Average: |
26.1 |
0.1 |
0.739 |
0 |
0 |
0 |
0.012 |
37 |
55 |
|
[ACE]F:0 |
2 |
1 |
172 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
3207 |
23.7 |
-0.6 |
0.531 |
0 |
0 |
0 |
0.000 |
38 |
56 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
3177 |
22.6 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
C |
3 |
2 |
3176 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
3177 |
22.4 |
-0.2 |
0.684 |
0 |
0 |
0 |
0.004 |
40 |
58 |
|
F |
2 |
1 |
3201 |
◊ |
[ACE]A:0 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
171 |
21.5 |
-0.7 |
0.468 |
0 |
0 |
0 |
0.000 |
41 |
59 |
|
H |
9 |
2 |
3177 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
3207 |
21.0 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
42 |
60 |
|
H |
3 |
1 |
3177 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
3207 |
20.3 |
1.0 |
0.916 |
1 |
1 |
0 |
0.000 |
61 |
|
F |
2 |
1 |
3201 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3155 |
14.8 |
0.7 |
0.882 |
0 |
0 |
0 |
0.000 |
62 |
|
G |
3 |
1 |
3184 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
3176 |
9.4 |
0.4 |
0.848 |
0 |
0 |
0 |
0.000 |
Average: |
14.8 |
0.7 |
0.882 |
0 |
0 |
0 |
0.000 |
43 |
63 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
[NH2]H:31 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
117 |
19.8 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
64 |
|
[ACE]D:0 |
1 |
1 |
172 |
◊ |
[ACE]E:0 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
170 |
18.6 |
-0.6 |
0.667 |
0 |
0 |
0 |
0.000 |
45 |
65 |
|
F |
3 |
3 |
3201 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
3207 |
15.0 |
-0.4 |
0.570 |
0 |
0 |
0 |
0.000 |
46 |
66 |
|
E |
1 |
1 |
3199 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3207 |
11.8 |
0.6 |
0.909 |
0 |
0 |
0 |
0.000 |
47 |
67 |
|
[ACE]D:0 |
1 |
1 |
172 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
3184 |
10.4 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
48 |
68 |
|
H |
3 |
1 |
3177 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
3149 |
9.7 |
-0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
49 |
69 |
|
[NH2]E:31 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
3201 |
8.0 |
0.2 |
0.937 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
F |
2 |
1 |
3201 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
2 |
1 |
3207 |
4.1 |
-0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
51 |
71 |
|
[ACE]F:0 |
1 |
1 |
172 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
3184 |
3.7 |
-0.0 |
0.757 |
0 |
0 |
0 |
0.001 |
52 |
72 |
|
B |
1 |
1 |
3155 |
◊ |
[ACE]E:0 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
170 |
1.0 |
-0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
53 |
73 |
|
[ACE]G:0 |
1 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
3201 |
0.8 |
-0.0 |
0.728 |
0 |
0 |
0 |
0.000 |
54 |
74 |
|
[NH2]E:31 |
1 |
1 |
117 |
f |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
3155 |
0.2 |
0.0 |
0.857 |
0 |
0 |
0 |
0.000 |
|