| ## |
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 |
223 |
57 |
13381 |
◊ |
A |
x,y,z |
1_555 |
224 |
56 |
13316 |
2186.0 |
-19.6 |
0.252 |
34 |
27 |
0 |
0.338 |
| 2 |
2 |
|
B |
43 |
15 |
13381 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
45 |
14 |
13316 |
430.4 |
0.8 |
0.791 |
8 |
4 |
0 |
0.000 |
3 |
|
B |
48 |
15 |
13381 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
44 |
15 |
13316 |
429.1 |
0.5 |
0.779 |
7 |
2 |
0 |
0.000 |
| Average: |
429.7 |
0.7 |
0.785 |
8 |
3 |
0 |
0.000 |
| 3 |
4 |
|
[XS6]B:404 |
14 |
1 |
429 |
f |
B |
x,y,z |
1_555 |
47 |
18 |
13381 |
252.6 |
4.6 |
0.195 |
2 |
0 |
0 |
0.000 |
5 |
|
[XS6]A:404 |
14 |
1 |
425 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
13316 |
248.7 |
4.7 |
0.223 |
2 |
0 |
0 |
0.000 |
| Average: |
250.6 |
4.7 |
0.209 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
22 |
9 |
13381 |
x |
B |
x-1,y,z |
1_455 |
26 |
10 |
13381 |
215.3 |
-1.6 |
0.503 |
1 |
2 |
0 |
0.000 |
| 5 |
7 |
|
A |
19 |
7 |
13316 |
◊ |
B |
x,y,z-1 |
1_554 |
19 |
7 |
13381 |
199.7 |
-3.2 |
0.216 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
17 |
8 |
13316 |
x |
A |
x-1,y,z |
1_455 |
19 |
8 |
13316 |
168.8 |
-2.9 |
0.244 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[GOL]A:406 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13316 |
131.8 |
-0.3 |
0.623 |
4 |
0 |
0 |
0.018 |
| 8 |
10 |
|
[GOL]B:406 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
13381 |
130.6 |
-0.5 |
0.525 |
2 |
0 |
0 |
0.012 |
| 9 |
11 |
|
[GOL]B:407 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
13381 |
121.9 |
-0.0 |
0.626 |
1 |
0 |
0 |
0.004 |
| 10 |
12 |
|
[GOL]A:405 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13381 |
86.7 |
-1.5 |
0.375 |
0 |
0 |
0 |
0.025 |
13 |
|
[GOL]B:405 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13316 |
79.0 |
-1.4 |
0.392 |
0 |
0 |
0 |
0.025 |
| Average: |
82.8 |
-1.4 |
0.384 |
0 |
0 |
0 |
0.025 |
| 11 |
14 |
|
[GOL]A:405 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
13316 |
73.2 |
-0.7 |
0.465 |
0 |
0 |
0 |
0.013 |
15 |
|
[GOL]B:405 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13381 |
71.9 |
-0.8 |
0.456 |
0 |
0 |
0 |
0.013 |
| Average: |
72.6 |
-0.8 |
0.460 |
0 |
0 |
0 |
0.013 |
| 12 |
16 |
|
[NH4]A:403 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13316 |
63.4 |
1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[NH4]B:403 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
13381 |
62.7 |
1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
63.1 |
1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[XS6]A:404 |
4 |
1 |
425 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13381 |
41.1 |
0.4 |
0.106 |
1 |
0 |
0 |
0.000 |
19 |
|
[XS6]B:404 |
4 |
1 |
429 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
13316 |
39.3 |
0.6 |
0.120 |
1 |
0 |
0 |
0.000 |
| Average: |
40.2 |
0.5 |
0.113 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
13381 |
36.5 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.466 |
21 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
13316 |
36.2 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.466 |
| Average: |
36.4 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.466 |
| 15 |
22 |
|
[XS6]A:404 |
4 |
1 |
425 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.214 |
23 |
|
[XS6]B:404 |
4 |
1 |
429 |
cf |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.214 |
| Average: |
30.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.214 |
| 16 |
24 |
|
[GOL]B:406 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13316 |
0.3 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
|