## |
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 |
193 |
57 |
16651 |
◊ |
A |
x,y,z |
1_555 |
184 |
53 |
16496 |
1769.4 |
-5.5 |
0.584 |
18 |
3 |
0 |
0.293 |
2 |
2 |
|
B |
86 |
28 |
16651 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
93 |
27 |
16496 |
831.7 |
-3.6 |
0.477 |
10 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
69 |
16 |
16651 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
56 |
14 |
16496 |
574.1 |
-0.8 |
0.559 |
5 |
4 |
0 |
0.000 |
4 |
4 |
|
B |
53 |
18 |
16651 |
◊ |
A |
x-1,y,z |
1_455 |
61 |
22 |
16496 |
494.9 |
1.1 |
0.768 |
2 |
1 |
0 |
0.000 |
5 |
5 |
|
A |
56 |
17 |
16496 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
51 |
15 |
16496 |
462.1 |
-1.7 |
0.542 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
35 |
11 |
16496 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
12 |
16651 |
312.4 |
-2.4 |
0.380 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
22 |
8 |
16496 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
31 |
9 |
16651 |
212.9 |
0.9 |
0.738 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
[BGC]D:1 |
12 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
39 |
13 |
16651 |
203.7 |
1.9 |
0.376 |
1 |
0 |
0 |
0.000 |
9 |
|
[BGC]C:1 |
12 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
41 |
13 |
16496 |
185.9 |
1.7 |
0.407 |
1 |
0 |
0 |
0.000 |
Average: |
194.8 |
1.8 |
0.392 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[BGC]D:2 |
11 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
16651 |
166.5 |
2.4 |
0.412 |
9 |
0 |
0 |
0.075 |
11 |
|
[BGC]C:2 |
11 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
32 |
16 |
16496 |
165.7 |
2.4 |
0.407 |
10 |
0 |
0 |
0.075 |
Average: |
166.1 |
2.4 |
0.410 |
10 |
0 |
0 |
0.075 |
10 |
12 |
|
A |
17 |
4 |
16496 |
x |
A |
x-1,y,z |
1_455 |
17 |
4 |
16496 |
132.5 |
-0.7 |
0.522 |
0 |
1 |
0 |
0.000 |
11 |
13 |
|
B |
15 |
4 |
16651 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
12 |
5 |
16651 |
127.0 |
0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]A:503 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
16496 |
111.6 |
2.9 |
0.483 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
15 |
6 |
16651 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
12 |
5 |
16651 |
85.6 |
1.3 |
0.768 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
16651 |
76.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.506 |
17 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16496 |
74.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.506 |
Average: |
75.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.506 |
15 |
18 |
|
A |
7 |
3 |
16496 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
16651 |
62.3 |
-0.4 |
0.496 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
16651 |
60.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.195 |
17 |
20 |
|
[BGC]D:2 |
6 |
1 |
292 |
cf |
[BGC]D:1 |
x,y,z |
1_555 |
4 |
1 |
303 |
55.3 |
1.6 |
0.221 |
0 |
0 |
0 |
0.000 |
21 |
|
[BGC]C:2 |
7 |
1 |
293 |
cf |
[BGC]C:1 |
x,y,z |
1_555 |
5 |
1 |
306 |
51.5 |
1.6 |
0.193 |
0 |
0 |
0 |
0.000 |
Average: |
53.4 |
1.6 |
0.207 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
A |
7 |
2 |
16496 |
f |
[EDO]A:504 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
184 |
53.3 |
1.8 |
0.924 |
2 |
0 |
0 |
0.000 |
19 |
23 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16496 |
44.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.107 |
20 |
24 |
|
[EDO]A:504 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
16496 |
42.8 |
1.9 |
0.962 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[BGC]C:1 |
4 |
1 |
306 |
f |
[EDO]A:503 |
x,y,z |
1_555 |
3 |
1 |
184 |
40.4 |
1.2 |
0.347 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
16651 |
17.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[CL]B:502 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16496 |
11.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
|