| ## |
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 |
126 |
34 |
6545 |
◊ |
A |
x,y,z |
1_555 |
114 |
29 |
6680 |
1087.7 |
-11.5 |
0.294 |
15 |
0 |
0 |
0.345 |
2 |
|
C |
128 |
33 |
6638 |
◊ |
B |
x,y,z |
1_555 |
111 |
29 |
6545 |
1081.7 |
-11.6 |
0.308 |
14 |
0 |
0 |
0.345 |
3 |
|
C |
114 |
29 |
6638 |
◊ |
A |
x,y,z |
1_555 |
121 |
33 |
6680 |
1075.8 |
-11.4 |
0.273 |
14 |
0 |
0 |
0.345 |
| Average: |
1081.7 |
-11.5 |
0.292 |
14 |
0 |
0 |
0.345 |
| 2 |
4 |
|
B |
46 |
14 |
6545 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
45 |
16 |
6680 |
401.9 |
-2.7 |
0.551 |
3 |
0 |
0 |
0.000 |
5 |
|
C |
46 |
16 |
6638 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
47 |
14 |
6680 |
381.7 |
-3.0 |
0.494 |
3 |
0 |
0 |
0.000 |
| Average: |
391.8 |
-2.8 |
0.522 |
3 |
0 |
0 |
0.000 |
| 3 |
6 |
|
[LE2]C:200 |
11 |
1 |
341 |
cf |
C |
x,y,z |
1_555 |
34 |
12 |
6638 |
205.6 |
0.9 |
0.345 |
0 |
0 |
0 |
0.000 |
7 |
|
[LE2]B:200 |
11 |
1 |
342 |
cf |
B |
x,y,z |
1_555 |
34 |
10 |
6545 |
191.8 |
1.1 |
0.396 |
0 |
0 |
0 |
0.000 |
8 |
|
[LE2]A:200 |
11 |
1 |
342 |
cf |
A |
x,y,z |
1_555 |
33 |
11 |
6680 |
189.6 |
0.7 |
0.328 |
0 |
0 |
0 |
0.000 |
| Average: |
195.7 |
0.9 |
0.356 |
0 |
0 |
0 |
0.000 |
| 4 |
9 |
|
C |
20 |
8 |
6638 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
7 |
6680 |
143.0 |
0.5 |
0.750 |
1 |
0 |
0 |
0.000 |
| 5 |
10 |
|
C |
18 |
6 |
6638 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
4 |
6545 |
98.5 |
0.8 |
0.777 |
1 |
0 |
0 |
0.000 |
| 6 |
11 |
|
B |
14 |
6 |
6545 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
5 |
6638 |
89.3 |
-1.0 |
0.520 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
12 |
5 |
6545 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
12 |
7 |
6680 |
84.3 |
-0.8 |
0.535 |
0 |
0 |
0 |
0.000 |
| Average: |
86.8 |
-0.9 |
0.527 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[LE2]C:200 |
6 |
1 |
341 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
6545 |
72.5 |
2.5 |
0.582 |
0 |
0 |
0 |
0.000 |
14 |
|
[LE2]A:200 |
7 |
1 |
342 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
6638 |
70.0 |
2.3 |
0.563 |
0 |
0 |
0 |
0.000 |
15 |
|
[LE2]B:200 |
7 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
6680 |
69.8 |
2.3 |
0.551 |
0 |
0 |
0 |
0.000 |
| Average: |
70.8 |
2.4 |
0.565 |
0 |
0 |
0 |
0.000 |
| 8 |
16 |
|
C |
15 |
8 |
6638 |
f |
[CL]A:706 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
66.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| 9 |
17 |
|
[CL]A:701 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6680 |
64.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.185 |
18 |
|
[CL]B:703 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6545 |
64.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.185 |
19 |
|
[CL]C:702 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6638 |
64.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.185 |
| Average: |
64.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.185 |
| 10 |
20 |
|
[CL]C:709 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6638 |
62.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.184 |
21 |
|
[CL]A:707 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6680 |
62.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.184 |
22 |
|
[CL]B:708 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6545 |
61.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.184 |
| Average: |
62.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.184 |
| 11 |
23 |
|
[CL]A:704 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6680 |
50.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.083 |
24 |
|
[CL]C:705 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
6638 |
49.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
49.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.083 |
| 12 |
25 |
|
[NA]A:801 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6680 |
47.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.107 |
26 |
|
[NA]C:802 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6638 |
46.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.107 |
27 |
|
[NA]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6545 |
46.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
46.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.107 |
| 13 |
28 |
|
[LE2]B:200 |
3 |
1 |
342 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
6680 |
28.0 |
-0.1 |
0.448 |
1 |
0 |
0 |
0.000 |
29 |
|
C |
3 |
1 |
6638 |
◊ |
[LE2]A:200 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
342 |
25.8 |
-0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
| Average: |
26.9 |
-0.0 |
0.458 |
1 |
0 |
0 |
0.000 |
| 14 |
30 |
|
B |
3 |
1 |
6545 |
◊ |
[CL]A:706 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
23.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 15 |
31 |
|
[CL]A:706 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6680 |
21.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[NA]C:802 |
1 |
1 |
125 |
f |
[CL]C:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 17 |
33 |
|
[NA]B:803 |
1 |
1 |
125 |
f |
[CL]B:703 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 18 |
34 |
|
[NA]A:801 |
1 |
1 |
125 |
f |
[CL]A:701 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.022 |
| 19 |
35 |
|
[CL]B:703 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6680 |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
36 |
|
[CL]C:702 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6545 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
37 |
|
[CL]A:701 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6638 |
8.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
8.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 20 |
38 |
|
[NA]C:802 |
1 |
1 |
125 |
◊ |
[CL]A:701 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 21 |
39 |
|
[NA]B:803 |
1 |
1 |
125 |
◊ |
[CL]C:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 22 |
40 |
|
[NA]A:801 |
1 |
1 |
125 |
◊ |
[CL]B:703 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|