## |
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 |
66 |
19 |
6465 |
◊ |
B |
-x+2,-x+y+1,-z+7/3 |
6_767 |
66 |
19 |
6465 |
612.3 |
-2.2 |
0.503 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
57 |
13 |
6465 |
◊ |
A |
x,y,z |
1_555 |
54 |
12 |
6287 |
467.5 |
-0.9 |
0.568 |
9 |
7 |
0 |
0.000 |
3 |
3 |
|
A |
41 |
16 |
6287 |
◊ |
A |
y-1,x+1,-z+2 |
4_467 |
39 |
16 |
6287 |
430.8 |
-3.0 |
0.321 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
E |
31 |
4 |
792 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
6287 |
350.1 |
-2.1 |
0.446 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
C |
32 |
4 |
781 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
6465 |
339.4 |
-2.2 |
0.442 |
0 |
0 |
0 |
0.022 |
6 |
6 |
|
D |
32 |
4 |
788 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
6465 |
323.0 |
-0.9 |
0.564 |
3 |
0 |
0 |
0.000 |
7 |
7 |
|
E |
12 |
2 |
792 |
◊ |
A |
y-1,x+1,-z+2 |
4_467 |
14 |
6 |
6287 |
129.6 |
2.3 |
0.615 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
16 |
5 |
6465 |
◊ |
C |
-x+1,-x+y,-z+7/3 |
6_657 |
10 |
2 |
781 |
126.1 |
0.2 |
0.559 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
15 |
6 |
6465 |
x |
B |
-x+1,-x+y,-z+7/3 |
6_657 |
12 |
5 |
6465 |
114.8 |
0.6 |
0.692 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
13 |
4 |
6287 |
◊ |
B |
y-1,x,-z+2 |
4_457 |
11 |
5 |
6465 |
100.4 |
1.4 |
0.729 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
B |
9 |
3 |
6465 |
x |
B |
x-1,y,z |
1_455 |
7 |
2 |
6465 |
72.9 |
-1.5 |
0.131 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
A |
8 |
3 |
6287 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
6465 |
66.5 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
C |
8 |
2 |
781 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
6287 |
61.7 |
-0.4 |
0.469 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[ACE]D:1 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
9 |
1 |
788 |
59.1 |
-0.9 |
0.613 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[NH2]D:6 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
8 |
1 |
788 |
55.2 |
1.8 |
0.825 |
0 |
0 |
0 |
0.000 |
16 |
|
[NH2]C:6 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
5 |
1 |
781 |
41.6 |
1.7 |
0.898 |
0 |
0 |
0 |
0.000 |
Average: |
48.4 |
1.8 |
0.862 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[ACE]C:1 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
6287 |
54.4 |
-0.9 |
0.562 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
D |
8 |
3 |
788 |
◊ |
B |
-x+1,-x+y,-z+7/3 |
6_657 |
5 |
3 |
6465 |
52.9 |
-0.6 |
0.481 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[NH2]E:6 |
1 |
1 |
117 |
◊ |
A |
y-1,x+1,-z+2 |
4_467 |
8 |
6 |
6287 |
52.4 |
0.7 |
0.774 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
E |
4 |
1 |
792 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6465 |
51.7 |
-0.7 |
0.393 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[ACE]C:1 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
10 |
2 |
781 |
50.4 |
-0.8 |
0.601 |
0 |
0 |
0 |
0.008 |
21 |
22 |
|
[ACE]E:1 |
3 |
1 |
172 |
cf |
E |
x,y,z |
1_555 |
10 |
2 |
792 |
47.8 |
-0.7 |
0.616 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[ACE]E:1 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6465 |
47.3 |
-1.0 |
0.570 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
A |
3 |
1 |
6287 |
x |
A |
y-1,x,-z+2 |
4_457 |
8 |
4 |
6287 |
46.4 |
-0.2 |
0.414 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[NH2]E:6 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
4 |
1 |
792 |
43.9 |
1.7 |
0.909 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6465 |
41.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
27 |
|
[ACE]D:1 |
3 |
1 |
172 |
◊ |
B |
-x+2,-x+y+1,-z+7/3 |
6_767 |
3 |
1 |
6465 |
40.4 |
-1.2 |
0.208 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[ACE]E:1 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
781 |
36.4 |
-0.7 |
0.561 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
B |
6 |
2 |
6465 |
◊ |
[NH2]C:6 |
-x+1,-x+y,-z+7/3 |
6_657 |
1 |
1 |
117 |
33.3 |
0.5 |
0.770 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[ACE]D:1 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6465 |
32.7 |
0.9 |
0.890 |
2 |
0 |
0 |
0.000 |
30 |
31 |
|
[ACE]C:1 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6465 |
31.8 |
0.7 |
0.935 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[ACE]E:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6287 |
27.6 |
0.5 |
0.953 |
1 |
0 |
0 |
0.000 |
32 |
33 |
|
A |
4 |
2 |
6287 |
◊ |
B |
x-1,y-1,z |
1_445 |
3 |
1 |
6465 |
27.0 |
0.2 |
0.665 |
0 |
1 |
0 |
0.000 |
33 |
34 |
|
[CL]B:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
781 |
26.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
34 |
35 |
|
[ACE]C:1 |
3 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
792 |
22.7 |
-0.7 |
0.520 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[NH2]C:6 |
1 |
1 |
117 |
◊ |
[CL]B:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.020 |
36 |
37 |
|
B |
5 |
1 |
6465 |
◊ |
[CL]B:201 |
-x+1,-x+y,-z+7/3 |
6_657 |
1 |
1 |
125 |
21.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
E |
3 |
2 |
792 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
781 |
14.0 |
-0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
D |
1 |
1 |
788 |
◊ |
B |
-x+2,-x+y+1,-z+7/3 |
6_767 |
2 |
1 |
6465 |
10.4 |
-0.3 |
0.393 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[NH2]C:6 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6465 |
9.8 |
-0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
41 |
|
[NH2]E:6 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6287 |
3.5 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
Average: |
6.7 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.001 |
40 |
42 |
|
A |
2 |
1 |
6287 |
◊ |
B |
-x+1,-x+y,-z+7/3 |
6_657 |
1 |
1 |
6465 |
9.6 |
0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[ACE]D:1 |
2 |
1 |
172 |
◊ |
B |
-x+1,-x+y,-z+7/3 |
6_657 |
1 |
1 |
6465 |
6.8 |
0.1 |
0.832 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[ACE]E:1 |
1 |
1 |
172 |
◊ |
[ACE]C:1 |
x,y,z |
1_555 |
2 |
1 |
171 |
6.6 |
0.0 |
0.770 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
D |
2 |
1 |
788 |
◊ |
[CL]B:201 |
-x+1,-x+y,-z+7/3 |
6_657 |
1 |
1 |
125 |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
B |
1 |
1 |
6465 |
◊ |
A |
-x+1,-x+y,-z+7/3 |
6_657 |
1 |
1 |
6287 |
4.8 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[NH2]D:6 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6465 |
1.2 |
-0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
B |
1 |
1 |
6465 |
◊ |
[ACE]E:1 |
-x+1,-x+y,-z+7/3 |
6_657 |
1 |
1 |
172 |
0.3 |
-0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
|