| ## |
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 |
94 |
24 |
5633 |
◊ |
A |
x,y,z |
1_555 |
89 |
22 |
5770 |
921.8 |
-22.9 |
0.026 |
7 |
0 |
0 |
0.490 |
| 2 |
2 |
|
B |
74 |
21 |
5633 |
◊ |
B |
-y+1,-x+1,-z+2 |
8_667 |
73 |
21 |
5633 |
658.7 |
-1.3 |
0.687 |
12 |
6 |
0 |
0.071 |
| 3 |
3 |
|
A |
30 |
10 |
5770 |
◊ |
B |
-y+1/2,x-1/2,z-1 |
3_544 |
35 |
9 |
5633 |
286.2 |
-2.0 |
0.579 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
28 |
10 |
5770 |
◊ |
A |
y,x,-z+1 |
7_556 |
28 |
10 |
5770 |
242.8 |
-1.5 |
0.630 |
2 |
0 |
0 |
0.022 |
| 5 |
5 |
|
A |
28 |
6 |
5770 |
◊ |
A |
y,x,-z |
7_555 |
28 |
6 |
5770 |
219.9 |
-1.9 |
0.593 |
4 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[CIT]B:97 |
12 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
5633 |
159.4 |
2.7 |
0.668 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
13 |
5 |
5633 |
◊ |
A |
-y+1,-x+1,-z+1 |
8_666 |
8 |
2 |
5770 |
107.6 |
-1.5 |
0.398 |
0 |
0 |
0 |
0.028 |
| 8 |
8 |
|
[EDO]A:100 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
5770 |
102.0 |
2.3 |
0.476 |
4 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[PEG]B:100 |
7 |
1 |
266 |
f |
B |
-y+1,-x+1,-z+2 |
8_667 |
20 |
8 |
5633 |
101.4 |
0.8 |
0.205 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[EDO]A:96 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
5770 |
100.7 |
2.8 |
0.473 |
4 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]A:98 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
5770 |
99.7 |
3.5 |
0.543 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PEG]B:100 |
6 |
1 |
266 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
5633 |
96.0 |
2.4 |
0.438 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
A |
9 |
3 |
5770 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
6 |
5633 |
93.8 |
0.6 |
0.712 |
1 |
1 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]B:99 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
5633 |
89.3 |
3.0 |
0.308 |
3 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]B:98 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
5633 |
87.7 |
3.2 |
0.526 |
2 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[CL]B:96 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
5633 |
82.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.231 |
| 17 |
17 |
|
[EDO]A:99 |
4 |
1 |
185 |
f |
A |
y,x,-z+1 |
7_556 |
11 |
5 |
5770 |
78.1 |
1.9 |
0.278 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]A:97 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
5770 |
74.7 |
1.3 |
0.239 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[CL]A:95 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
5770 |
69.0 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.435 |
20 |
|
[CL]B:95 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
5633 |
69.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.435 |
| Average: |
69.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.435 |
| 20 |
21 |
|
A |
9 |
4 |
5770 |
◊ |
B |
-y+1/2,x-1/2,z |
3_545 |
9 |
2 |
5633 |
65.6 |
1.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:98 |
3 |
1 |
186 |
f |
B |
-y+1,-x+1,-z+2 |
8_667 |
11 |
4 |
5633 |
51.1 |
0.3 |
0.196 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[EDO]A:97 |
3 |
1 |
183 |
◊ |
B |
-y+1/2,x-1/2,z-1 |
3_544 |
8 |
1 |
5633 |
47.5 |
1.0 |
0.219 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]A:99 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
5770 |
36.5 |
0.6 |
0.436 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[CIT]B:97 |
3 |
1 |
313 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
5770 |
30.8 |
0.2 |
0.483 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[PEG]B:100 |
3 |
1 |
266 |
◊ |
[PEG]B:100 |
-y+1,-x+1,-z+2 |
8_667 |
3 |
1 |
266 |
30.5 |
1.8 |
0.242 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[CIT]B:97 |
3 |
1 |
313 |
f |
A |
-y+1,-x+1,-z+1 |
8_666 |
3 |
2 |
5770 |
26.9 |
-0.3 |
0.328 |
0 |
0 |
0 |
0.006 |
| 27 |
28 |
|
[EDO]A:99 |
1 |
1 |
185 |
◊ |
[EDO]A:96 |
y,x,-z+1 |
7_556 |
2 |
1 |
185 |
20.3 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:97 |
3 |
1 |
183 |
◊ |
[EDO]A:96 |
x,y,z |
1_555 |
2 |
1 |
185 |
14.9 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]A:97 |
3 |
1 |
183 |
◊ |
A |
y,x,-z+1 |
7_556 |
1 |
1 |
5770 |
11.5 |
0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[EDO]A:96 |
1 |
1 |
185 |
f |
A |
y,x,-z+1 |
7_556 |
2 |
1 |
5770 |
6.1 |
0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
A |
1 |
1 |
5770 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
6_456 |
1 |
1 |
5633 |
4.8 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]B:99 |
1 |
1 |
185 |
f |
[CL]B:95 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 33 |
34 |
|
[EDO]A:97 |
1 |
1 |
183 |
f |
B |
x-1/2,-y+1/2,-z+1 |
6_456 |
1 |
1 |
5633 |
0.1 |
0.0 |
0.821 |
0 |
0 |
0 |
0.000 |
|