| ## |
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 |
|
A |
64 |
19 |
12190 |
x |
A |
-x,y-1/2,-z |
2_545 |
74 |
22 |
12190 |
650.7 |
-7.0 |
0.363 |
10 |
5 |
0 |
0.000 |
| 2 |
2 |
|
A |
29 |
10 |
12190 |
x |
A |
x-1,y,z |
1_455 |
32 |
12 |
12190 |
251.9 |
0.4 |
0.754 |
1 |
2 |
0 |
0.000 |
| 3 |
3 |
|
B |
18 |
5 |
646 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
12190 |
240.8 |
-3.6 |
0.366 |
0 |
0 |
0 |
0.037 |
| 4 |
4 |
|
A |
26 |
8 |
12190 |
x |
A |
x-1,y,z-1 |
1_454 |
20 |
9 |
12190 |
216.0 |
-1.6 |
0.536 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[DBH]B:21 |
10 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
12190 |
128.7 |
0.6 |
0.555 |
3 |
0 |
0 |
0.007 |
| 6 |
6 |
|
[DBH]B:31 |
10 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
12190 |
128.6 |
0.2 |
0.554 |
4 |
0 |
0 |
0.016 |
| 7 |
7 |
|
[DBH]B:11 |
10 |
1 |
276 |
◊ |
A |
x,y,z |
1_555 |
31 |
9 |
12190 |
125.8 |
-0.8 |
0.456 |
1 |
0 |
0 |
0.013 |
| 8 |
8 |
|
A |
6 |
2 |
12190 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
4 |
12190 |
75.0 |
0.9 |
0.794 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
9 |
4 |
12190 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
10 |
6 |
12190 |
73.0 |
0.5 |
0.747 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[CL]A:1302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12190 |
72.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.098 |
| 11 |
11 |
|
[CL]A:1305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
12190 |
69.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.091 |
| 12 |
12 |
|
[CL]A:1304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12190 |
65.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.088 |
| 13 |
13 |
|
[CL]A:1306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12190 |
58.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.082 |
| 14 |
14 |
|
[CL]A:1303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12190 |
58.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.083 |
| 15 |
15 |
|
[DBH]B:31 |
6 |
1 |
275 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
646 |
55.9 |
1.2 |
0.683 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[CL]A:1307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12190 |
55.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.078 |
| 17 |
17 |
|
[CL]A:1310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12190 |
53.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.069 |
| 18 |
18 |
|
[DBH]B:21 |
7 |
1 |
278 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
646 |
53.4 |
0.8 |
0.619 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[CL]A:1312 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12190 |
52.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.067 |
| 20 |
20 |
|
[DBH]B:11 |
6 |
1 |
276 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
646 |
52.0 |
1.1 |
0.664 |
0 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[FE]B:1001 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12190 |
47.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.045 |
| 22 |
22 |
|
A |
7 |
4 |
12190 |
◊ |
[CL]A:1306 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
43.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[CL]A:1311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12190 |
41.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.049 |
| 24 |
24 |
|
[CL]A:1308 |
1 |
1 |
125 |
f |
A |
x-1,y,z |
1_455 |
7 |
3 |
12190 |
36.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.047 |
| 25 |
25 |
|
[CL]A:1308 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12190 |
36.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[CL]A:1311 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
12190 |
35.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[CL]A:1309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
12190 |
28.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| 28 |
28 |
|
[FE]B:1001 |
1 |
1 |
137 |
◊ |
[DBH]B:31 |
x,y,z |
1_555 |
4 |
1 |
275 |
27.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.064 |
29 |
|
[FE]B:1001 |
1 |
1 |
137 |
◊ |
[DBH]B:21 |
x,y,z |
1_555 |
4 |
1 |
278 |
26.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.064 |
30 |
|
[FE]B:1001 |
1 |
1 |
137 |
◊ |
[DBH]B:11 |
x,y,z |
1_555 |
4 |
1 |
276 |
26.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
27.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.064 |
| 29 |
31 |
|
[DBH]B:31 |
4 |
1 |
275 |
f |
[DBH]B:11 |
x,y,z |
1_555 |
4 |
1 |
276 |
27.5 |
0.7 |
0.510 |
3 |
0 |
0 |
0.012 |
32 |
|
[DBH]B:21 |
4 |
1 |
278 |
f |
[DBH]B:11 |
x,y,z |
1_555 |
4 |
1 |
276 |
26.7 |
0.7 |
0.510 |
3 |
0 |
0 |
0.012 |
| Average: |
27.1 |
0.7 |
0.510 |
3 |
0 |
0 |
0.012 |
| 30 |
33 |
|
[DBH]B:31 |
4 |
1 |
275 |
f |
[DBH]B:21 |
x,y,z |
1_555 |
4 |
1 |
278 |
27.3 |
0.7 |
0.466 |
3 |
0 |
0 |
0.006 |
| 31 |
34 |
|
[FE]B:1001 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
646 |
26.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 32 |
35 |
|
[CL]A:1309 |
1 |
1 |
125 |
f |
[CL]A:1307 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.035 |
| 33 |
36 |
|
[CL]A:1304 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
12190 |
15.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
A |
3 |
2 |
12190 |
x |
A |
x,y,z-1 |
1_554 |
3 |
1 |
12190 |
10.5 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
B |
1 |
1 |
646 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
12190 |
8.5 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[CL]A:1302 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12190 |
3.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[CL]A:1307 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12190 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|