## |
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 |
78 |
22 |
7695 |
◊ |
A |
x,y,z |
1_555 |
74 |
25 |
7536 |
750.9 |
-4.3 |
0.420 |
8 |
5 |
0 |
0.016 |
2 |
2 |
|
B |
60 |
13 |
7695 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
54 |
12 |
7536 |
539.4 |
-2.7 |
0.546 |
10 |
3 |
0 |
0.000 |
3 |
3 |
|
B |
40 |
12 |
7695 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
41 |
10 |
7536 |
382.7 |
-2.0 |
0.535 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
33 |
8 |
7695 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
37 |
11 |
7536 |
358.0 |
-3.2 |
0.394 |
3 |
1 |
0 |
0.000 |
5 |
5 |
|
B |
25 |
8 |
7695 |
◊ |
A |
x,y-1,z |
1_545 |
27 |
9 |
7536 |
244.3 |
1.2 |
0.768 |
3 |
2 |
0 |
0.000 |
6 |
6 |
|
[MB3]B:1 |
7 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
7695 |
153.0 |
-3.6 |
0.456 |
1 |
0 |
0 |
0.012 |
7 |
7 |
|
[MB3]A:2 |
7 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
7536 |
150.8 |
-3.3 |
0.510 |
1 |
0 |
0 |
0.032 |
8 |
8 |
|
[EDO]B:5 |
4 |
1 |
184 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
7 |
7536 |
106.4 |
3.4 |
0.463 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
19 |
6 |
7695 |
◊ |
[EDO]A:1 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
98.1 |
3.4 |
0.487 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]B:2 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
7695 |
85.6 |
2.1 |
0.389 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
B |
7 |
3 |
7695 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
7536 |
78.0 |
1.1 |
0.716 |
1 |
2 |
0 |
0.000 |
12 |
12 |
|
[EDO]B:4 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
7695 |
74.3 |
1.4 |
0.738 |
3 |
0 |
0 |
0.000 |
13 |
13 |
|
[CL]B:736 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
7695 |
71.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.031 |
14 |
14 |
|
[EDO]B:4 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7536 |
68.2 |
2.4 |
0.311 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
[CL]A:735 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7536 |
67.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.076 |
16 |
|
[CL]B:3 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7695 |
64.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
66.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.076 |
16 |
17 |
|
[EDO]A:3 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
7695 |
66.0 |
1.2 |
0.181 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:3 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7536 |
63.3 |
0.9 |
0.602 |
3 |
0 |
0 |
0.004 |
18 |
19 |
|
[CL]B:735 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
7695 |
55.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.024 |
19 |
20 |
|
[CL]B:735 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7536 |
40.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.009 |
20 |
21 |
|
[EDO]A:1 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7536 |
40.5 |
0.7 |
0.770 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:2 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
7536 |
40.1 |
0.3 |
0.517 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:5 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
7695 |
38.0 |
0.3 |
0.608 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[MB3]A:2 |
2 |
1 |
250 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7695 |
35.0 |
-1.1 |
0.335 |
0 |
0 |
0 |
0.002 |
24 |
25 |
|
A |
6 |
2 |
7536 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
2 |
7536 |
32.6 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[MB3]B:1 |
2 |
1 |
251 |
◊ |
[EDO]A:3 |
x,y,z |
1_555 |
3 |
1 |
187 |
31.5 |
0.3 |
0.833 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[MB3]B:1 |
2 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7536 |
29.5 |
-0.9 |
0.359 |
0 |
0 |
0 |
0.002 |
27 |
28 |
|
[CL]B:3 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
7536 |
26.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
2 |
1 |
7695 |
◊ |
[CL]A:735 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
25.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[MB3]A:2 |
5 |
1 |
250 |
f |
[EDO]B:2 |
x,y,z |
1_555 |
3 |
1 |
185 |
25.9 |
0.2 |
0.975 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[CL]B:736 |
1 |
1 |
125 |
f |
[EDO]B:4 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
30 |
32 |
|
[EDO]B:2 |
1 |
1 |
185 |
f |
[EDO]A:3 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|