## |
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 |
85 |
18 |
3889 |
◊ |
A |
x,y,z |
1_555 |
82 |
19 |
3726 |
748.1 |
-12.1 |
0.361 |
3 |
1 |
0 |
0.983 |
2 |
|
C |
86 |
19 |
3883 |
◊ |
E |
x,y,z |
1_555 |
75 |
18 |
3811 |
743.0 |
-11.2 |
0.391 |
5 |
0 |
0 |
0.983 |
3 |
|
D |
80 |
17 |
3794 |
◊ |
B |
x,y,z |
1_555 |
80 |
19 |
3669 |
705.2 |
-10.0 |
0.389 |
4 |
1 |
0 |
0.983 |
Average: |
732.1 |
-11.1 |
0.380 |
4 |
1 |
0 |
0.983 |
2 |
4 |
|
B |
62 |
18 |
3669 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
3726 |
609.3 |
-12.6 |
0.227 |
1 |
0 |
0 |
0.916 |
5 |
|
E |
55 |
15 |
3811 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
3726 |
591.8 |
-12.1 |
0.254 |
2 |
0 |
0 |
0.916 |
6 |
|
E |
60 |
18 |
3811 |
◊ |
B |
x,y,z |
1_555 |
58 |
15 |
3669 |
576.4 |
-11.9 |
0.272 |
3 |
0 |
0 |
0.916 |
Average: |
592.5 |
-12.2 |
0.251 |
2 |
0 |
0 |
0.916 |
3 |
7 |
|
F |
54 |
13 |
3889 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
3669 |
565.1 |
-8.6 |
0.319 |
2 |
2 |
0 |
0.897 |
8 |
|
C |
60 |
15 |
3883 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
3726 |
563.8 |
-9.9 |
0.251 |
1 |
0 |
0 |
0.897 |
9 |
|
D |
59 |
14 |
3794 |
◊ |
E |
x,y,z |
1_555 |
52 |
17 |
3811 |
563.2 |
-8.4 |
0.327 |
4 |
2 |
0 |
0.897 |
Average: |
564.0 |
-8.9 |
0.299 |
2 |
1 |
0 |
0.897 |
4 |
10 |
|
C |
31 |
8 |
3883 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
7 |
3889 |
274.9 |
-0.9 |
0.692 |
0 |
2 |
0 |
0.000 |
5 |
11 |
|
D |
22 |
7 |
3794 |
x |
D |
x-1,y,z |
1_455 |
27 |
7 |
3794 |
209.5 |
-1.7 |
0.539 |
1 |
0 |
0 |
0.000 |
6 |
12 |
|
C |
17 |
7 |
3883 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
6 |
3669 |
192.0 |
-0.4 |
0.694 |
0 |
3 |
0 |
0.000 |
7 |
13 |
|
F |
17 |
5 |
3889 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
5 |
3883 |
176.5 |
2.2 |
0.876 |
0 |
3 |
0 |
0.000 |
8 |
14 |
|
E |
13 |
3 |
3811 |
x |
E |
x-1/2,-y+1/2,-z |
4_455 |
21 |
5 |
3811 |
161.6 |
-1.9 |
0.580 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
B |
19 |
5 |
3669 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
3 |
3794 |
152.3 |
-2.5 |
0.413 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
A |
12 |
3 |
3726 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
6 |
3794 |
138.5 |
1.2 |
0.859 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
13 |
4 |
3794 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
3883 |
131.4 |
-1.2 |
0.516 |
0 |
4 |
0 |
0.000 |
12 |
18 |
|
B |
16 |
5 |
3669 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
5 |
3811 |
128.0 |
1.6 |
0.886 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
C |
13 |
3 |
3883 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
5 |
3794 |
123.8 |
-1.6 |
0.435 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
A |
14 |
4 |
3726 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
4 |
3889 |
119.8 |
-1.6 |
0.532 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
A |
14 |
5 |
3726 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
3669 |
110.7 |
1.6 |
0.908 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
E |
12 |
2 |
3811 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
15 |
4 |
3794 |
100.5 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
B |
10 |
4 |
3669 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
3883 |
83.4 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
F |
8 |
2 |
3889 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
3794 |
80.5 |
1.4 |
0.855 |
1 |
3 |
0 |
0.000 |
19 |
25 |
|
[ACE]E:34 |
3 |
1 |
172 |
cf |
E |
x,y,z |
1_555 |
8 |
4 |
3811 |
77.8 |
-0.5 |
0.807 |
1 |
0 |
0 |
0.100 |
20 |
26 |
|
[ACE]A:34 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
3726 |
75.5 |
-0.4 |
0.809 |
1 |
0 |
0 |
0.100 |
21 |
27 |
|
[ACE]B:34 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
3669 |
74.3 |
-0.4 |
0.816 |
1 |
0 |
0 |
0.100 |
22 |
28 |
|
[ACE]D:114 |
3 |
1 |
171 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
4 |
3794 |
70.4 |
-0.9 |
0.716 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[ACE]F:114 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
5 |
3 |
3889 |
60.8 |
-0.2 |
0.807 |
0 |
0 |
0 |
0.020 |
24 |
30 |
|
D |
10 |
4 |
3794 |
◊ |
[ACE]C:114 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
172 |
58.6 |
-0.7 |
0.692 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[NH2]F:152 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
5 |
4 |
3889 |
57.8 |
0.9 |
0.769 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
E |
6 |
3 |
3811 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
3883 |
56.9 |
-1.3 |
0.390 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
C |
9 |
2 |
3883 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
6 |
1 |
3794 |
50.6 |
-1.0 |
0.437 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[ACE]C:114 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
3883 |
47.4 |
-0.2 |
0.812 |
0 |
0 |
0 |
0.100 |
29 |
35 |
|
[ACE]D:114 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
3794 |
45.0 |
-0.2 |
0.808 |
0 |
0 |
0 |
0.100 |
30 |
36 |
|
B |
5 |
3 |
3669 |
◊ |
[ACE]C:114 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
172 |
43.5 |
-0.5 |
0.738 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
F |
4 |
2 |
3889 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
3669 |
34.2 |
-0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[ACE]B:34 |
3 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
3889 |
33.8 |
-1.0 |
0.356 |
0 |
0 |
0 |
0.088 |
33 |
39 |
|
[ACE]A:34 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
3883 |
32.7 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.073 |
34 |
40 |
|
C |
1 |
1 |
3883 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
3794 |
32.2 |
-0.4 |
0.221 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[ACE]E:34 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
3794 |
31.2 |
-0.9 |
0.388 |
0 |
0 |
0 |
0.073 |
36 |
42 |
|
[ACE]E:34 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3669 |
24.6 |
-0.5 |
0.361 |
0 |
0 |
0 |
0.013 |
37 |
43 |
|
A |
1 |
1 |
3726 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
3794 |
21.3 |
-0.0 |
0.411 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[ACE]D:114 |
1 |
1 |
171 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
3811 |
19.5 |
-0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
F |
4 |
1 |
3889 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
1 |
3811 |
19.1 |
0.3 |
0.739 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[ACE]B:34 |
2 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3726 |
18.2 |
-0.4 |
0.423 |
0 |
0 |
0 |
0.010 |
47 |
|
[ACE]A:34 |
2 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
3811 |
7.7 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.010 |
Average: |
12.9 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.010 |
41 |
48 |
|
B |
2 |
2 |
3669 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
3883 |
15.4 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
A |
3 |
2 |
3726 |
◊ |
[NH2]F:152 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
117 |
14.6 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[ACE]D:114 |
2 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
3669 |
11.0 |
-0.3 |
0.732 |
0 |
0 |
0 |
0.021 |
44 |
51 |
|
[ACE]D:114 |
2 |
1 |
171 |
◊ |
[ACE]C:114 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
172 |
4.2 |
-0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
C |
2 |
1 |
3883 |
◊ |
[NH2]F:152 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
117 |
3.3 |
0.1 |
0.828 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[ACE]D:114 |
1 |
1 |
171 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
3883 |
3.1 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[ACE]F:114 |
1 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3726 |
1.9 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.004 |
48 |
55 |
|
E |
1 |
1 |
3811 |
◊ |
[ACE]C:114 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
172 |
1.4 |
0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
D |
1 |
1 |
3794 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
3811 |
0.9 |
0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
|