## |
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 |
231 |
55 |
13350 |
◊ |
A |
x,y,z |
1_555 |
228 |
55 |
13421 |
2227.1 |
-20.6 |
0.237 |
38 |
31 |
0 |
0.271 |
2 |
2 |
|
B |
48 |
15 |
13350 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
47 |
16 |
13421 |
430.8 |
0.4 |
0.779 |
7 |
1 |
0 |
0.000 |
3 |
|
B |
47 |
16 |
13350 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
46 |
14 |
13421 |
429.5 |
0.4 |
0.775 |
7 |
1 |
0 |
0.000 |
Average: |
430.2 |
0.4 |
0.777 |
7 |
1 |
0 |
0.000 |
3 |
4 |
|
[FKS]B:404 |
16 |
1 |
469 |
f |
B |
x,y,z |
1_555 |
50 |
18 |
13350 |
275.7 |
4.2 |
0.268 |
16 |
0 |
0 |
0.037 |
5 |
|
[FKS]A:404 |
16 |
1 |
469 |
f |
A |
x,y,z |
1_555 |
46 |
18 |
13421 |
275.1 |
4.2 |
0.258 |
16 |
0 |
0 |
0.037 |
Average: |
275.4 |
4.2 |
0.263 |
16 |
0 |
0 |
0.037 |
4 |
6 |
|
B |
21 |
9 |
13350 |
x |
B |
x-1,y,z |
1_455 |
26 |
11 |
13350 |
199.4 |
-1.4 |
0.534 |
1 |
1 |
0 |
0.000 |
5 |
7 |
|
A |
19 |
7 |
13421 |
◊ |
B |
x,y,z-1 |
1_554 |
20 |
7 |
13350 |
197.6 |
-3.1 |
0.234 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
17 |
8 |
13421 |
x |
A |
x-1,y,z |
1_455 |
17 |
8 |
13421 |
160.4 |
-2.4 |
0.287 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[GOL]A:407 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13421 |
128.2 |
-0.5 |
0.589 |
3 |
0 |
0 |
0.012 |
8 |
10 |
|
[GOL]B:407 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13421 |
81.6 |
-1.5 |
0.368 |
0 |
0 |
0 |
0.010 |
9 |
11 |
|
[NO3]B:406 |
4 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
13350 |
79.3 |
1.8 |
0.555 |
3 |
0 |
0 |
0.000 |
12 |
|
[NO3]A:406 |
4 |
1 |
161 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
13421 |
78.0 |
1.8 |
0.555 |
3 |
0 |
0 |
0.000 |
Average: |
78.6 |
1.8 |
0.555 |
3 |
0 |
0 |
0.000 |
10 |
13 |
|
[GOL]B:407 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13350 |
71.5 |
-0.8 |
0.490 |
0 |
0 |
0 |
0.005 |
11 |
14 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
13350 |
64.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.160 |
15 |
|
[NA]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13421 |
64.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
64.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.160 |
12 |
16 |
|
[NO3]B:405 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13350 |
64.7 |
0.7 |
0.473 |
1 |
0 |
0 |
0.000 |
17 |
|
[NO3]A:405 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13421 |
64.6 |
0.7 |
0.475 |
1 |
0 |
0 |
0.000 |
Average: |
64.6 |
0.7 |
0.474 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[NO3]B:405 |
4 |
1 |
161 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
9 |
3 |
13421 |
55.8 |
0.1 |
0.347 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
10 |
3 |
13350 |
◊ |
[NO3]A:405 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
160 |
54.7 |
0.1 |
0.360 |
0 |
0 |
0 |
0.000 |
Average: |
55.2 |
0.1 |
0.353 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[FKS]A:404 |
4 |
1 |
469 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13350 |
53.2 |
1.2 |
0.411 |
2 |
0 |
0 |
0.000 |
21 |
|
[FKS]B:404 |
4 |
1 |
469 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13421 |
53.1 |
1.2 |
0.413 |
2 |
0 |
0 |
0.000 |
Average: |
53.2 |
1.2 |
0.412 |
2 |
0 |
0 |
0.000 |
15 |
22 |
|
B |
7 |
3 |
13350 |
f |
[NO3]A:406 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
161 |
42.4 |
0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
23 |
|
[NO3]B:406 |
4 |
1 |
161 |
f |
A |
-x-1,y-1/2,-z |
2_445 |
7 |
3 |
13421 |
40.7 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
41.5 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
13350 |
35.3 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.330 |
25 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
13421 |
35.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.330 |
Average: |
35.2 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.330 |
17 |
26 |
|
[FKS]A:404 |
4 |
1 |
469 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.183 |
27 |
|
[FKS]B:404 |
4 |
1 |
469 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.183 |
Average: |
30.6 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.183 |
18 |
28 |
|
[NO3]A:406 |
1 |
1 |
161 |
◊ |
[NO3]A:405 |
x,y,z |
1_555 |
1 |
1 |
160 |
19.1 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
29 |
|
[NO3]B:406 |
1 |
1 |
161 |
◊ |
[NO3]B:405 |
x,y,z |
1_555 |
1 |
1 |
161 |
18.4 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
Average: |
18.7 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
|