## |
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 |
163 |
47 |
16653 |
◊ |
A |
x,y,z |
1_555 |
166 |
46 |
16636 |
1492.4 |
-13.0 |
0.127 |
23 |
0 |
0 |
0.699 |
2 |
2 |
|
B |
39 |
12 |
16653 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
48 |
17 |
16636 |
367.2 |
0.3 |
0.621 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
29 |
9 |
16653 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
10 |
16636 |
308.7 |
-2.6 |
0.293 |
2 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
26 |
8 |
16636 |
x |
A |
x-1,y,z |
1_455 |
29 |
10 |
16636 |
246.4 |
-1.9 |
0.352 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
32 |
11 |
16653 |
x |
B |
x-1,y,z |
1_455 |
32 |
14 |
16653 |
242.5 |
1.7 |
0.783 |
2 |
1 |
0 |
0.000 |
6 |
6 |
|
[PEG]A:495 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
16636 |
141.0 |
4.3 |
0.481 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[EDO]A:486 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
16636 |
121.1 |
3.6 |
0.445 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]B:490 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
16653 |
118.3 |
5.9 |
0.590 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]A:492 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
16636 |
116.4 |
3.4 |
0.408 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:491 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
16636 |
114.8 |
3.7 |
0.611 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]B:489 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
16653 |
113.4 |
3.6 |
0.605 |
2 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]B:487 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
16653 |
89.7 |
2.0 |
0.331 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]B:494 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
16653 |
82.1 |
2.3 |
0.250 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:493 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
16636 |
81.0 |
2.3 |
0.252 |
1 |
0 |
0 |
0.000 |
Average: |
81.5 |
2.3 |
0.251 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:487 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16636 |
82.0 |
1.0 |
0.520 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
A |
9 |
4 |
16636 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
16636 |
79.7 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:493 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
16653 |
75.7 |
1.2 |
0.125 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:494 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
16636 |
74.5 |
1.1 |
0.110 |
0 |
0 |
0 |
0.000 |
Average: |
75.1 |
1.2 |
0.117 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
A |
8 |
3 |
16636 |
◊ |
[EDO]A:488 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
72.5 |
2.4 |
0.312 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
[CL]A:483 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16636 |
69.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.600 |
21 |
|
[CL]B:482 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16653 |
66.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.600 |
Average: |
67.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.600 |
19 |
22 |
|
B |
6 |
3 |
16653 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
13 |
6 |
16653 |
63.4 |
0.5 |
0.718 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]A:488 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16636 |
63.1 |
1.3 |
0.724 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[CL]A:485 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16653 |
53.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.186 |
22 |
25 |
|
[CL]A:484 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
16636 |
49.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.397 |
23 |
26 |
|
[CL]A:485 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
16636 |
48.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.177 |
24 |
27 |
|
[CL]A:484 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
16636 |
47.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[CL]B:482 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
16653 |
32.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[EDO]B:489 |
3 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
3 |
2 |
16653 |
18.1 |
0.5 |
0.917 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
A |
3 |
1 |
16636 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
16653 |
17.3 |
0.4 |
0.762 |
0 |
0 |
0 |
0.000 |
|