| ## |
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 |
65 |
19 |
12014 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
66 |
16 |
11763 |
643.0 |
-7.7 |
0.229 |
7 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
58 |
20 |
12014 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
62 |
18 |
11763 |
527.7 |
2.7 |
0.904 |
13 |
9 |
0 |
0.000 |
| 3 |
3 |
|
A |
48 |
16 |
12014 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
52 |
15 |
12014 |
442.2 |
-2.0 |
0.539 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[INN]A:3 |
28 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
53 |
21 |
12014 |
384.5 |
3.3 |
0.434 |
9 |
0 |
0 |
0.001 |
| 5 |
5 |
|
[INN]B:2 |
28 |
1 |
659 |
f |
B |
x,y,z |
1_555 |
52 |
21 |
11763 |
377.1 |
2.5 |
0.431 |
7 |
0 |
0 |
0.002 |
| 6 |
6 |
|
A |
22 |
6 |
12014 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
25 |
8 |
11763 |
271.4 |
-3.1 |
0.303 |
6 |
3 |
0 |
0.000 |
| 7 |
7 |
|
A |
32 |
9 |
12014 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
8 |
11763 |
230.6 |
-0.3 |
0.633 |
5 |
4 |
0 |
0.000 |
| 8 |
8 |
|
A |
21 |
6 |
12014 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
4 |
11763 |
156.2 |
-1.9 |
0.359 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[CIT]B:500 |
11 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
11763 |
134.4 |
2.3 |
0.604 |
3 |
0 |
0 |
0.000 |
| 10 |
10 |
|
A |
9 |
3 |
12014 |
f |
[CIT]B:500 |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
1 |
313 |
102.5 |
-0.2 |
0.357 |
2 |
0 |
0 |
0.002 |
| 11 |
11 |
|
[IPA]A:476 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
12014 |
100.1 |
3.8 |
0.295 |
3 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[IPA]B:502 |
4 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11763 |
96.0 |
3.6 |
0.315 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[IMD]B:475 |
5 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11763 |
87.4 |
3.2 |
0.258 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
A |
13 |
5 |
12014 |
◊ |
[IPA]B:501 |
x-1,y,z |
1_455 |
4 |
1 |
197 |
87.1 |
3.3 |
0.248 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[IPA]B:503 |
3 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11763 |
85.8 |
2.5 |
0.272 |
2 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[INN]A:3 |
7 |
1 |
661 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
5 |
12014 |
82.4 |
-0.7 |
0.273 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[IPA]B:501 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
11763 |
59.1 |
1.6 |
0.245 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[CIT]B:500 |
6 |
1 |
313 |
f |
[IMD]B:475 |
x,y,z |
1_555 |
4 |
1 |
198 |
52.4 |
1.6 |
0.091 |
2 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[CA]A:475 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
12014 |
43.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| 20 |
20 |
|
[INN]A:3 |
4 |
1 |
661 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
11763 |
37.0 |
1.6 |
0.725 |
0 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[ZN]A:1 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12014 |
36.7 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.068 |
22 |
|
[ZN]B:4 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11763 |
36.5 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
36.6 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.068 |
| 22 |
23 |
|
[INN]B:2 |
5 |
1 |
659 |
f |
[ZN]B:4 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.044 |
24 |
|
[INN]A:3 |
5 |
1 |
661 |
f |
[ZN]A:1 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.5 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
33.6 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.044 |
| 23 |
25 |
|
A |
2 |
1 |
12014 |
f |
[IPA]B:503 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
198 |
8.3 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
B |
1 |
1 |
11763 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
11763 |
0.3 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|