## |
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 |
177 |
45 |
13916 |
◊ |
A |
x,y,z |
1_555 |
181 |
45 |
13989 |
1704.7 |
-18.4 |
0.074 |
28 |
0 |
0 |
0.339 |
2 |
2 |
|
B |
44 |
15 |
13916 |
◊ |
A |
-x-2,y-1/2,-z-1 |
2_344 |
38 |
9 |
13989 |
386.4 |
-4.0 |
0.223 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
41 |
9 |
13916 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
44 |
15 |
13989 |
383.9 |
-4.2 |
0.232 |
3 |
0 |
0 |
0.000 |
Average: |
385.1 |
-4.1 |
0.227 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
26 |
8 |
13916 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
27 |
9 |
13989 |
234.9 |
-2.2 |
0.368 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
28 |
10 |
13916 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
8 |
13989 |
232.6 |
0.4 |
0.411 |
4 |
1 |
0 |
0.000 |
6 |
|
B |
25 |
8 |
13916 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
10 |
13989 |
221.4 |
0.1 |
0.402 |
4 |
1 |
0 |
0.000 |
Average: |
227.0 |
0.3 |
0.406 |
4 |
1 |
0 |
0.000 |
5 |
7 |
|
A |
20 |
6 |
13989 |
x |
A |
x,y,z-1 |
1_554 |
20 |
4 |
13989 |
151.4 |
0.1 |
0.626 |
3 |
3 |
0 |
0.000 |
8 |
|
B |
19 |
4 |
13916 |
x |
B |
x-1,y,z |
1_455 |
20 |
6 |
13916 |
143.2 |
0.1 |
0.647 |
3 |
2 |
0 |
0.000 |
Average: |
147.3 |
0.1 |
0.636 |
3 |
3 |
0 |
0.000 |
6 |
9 |
|
[GOL]B:403 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
13916 |
137.7 |
0.2 |
0.584 |
5 |
0 |
0 |
0.023 |
7 |
10 |
|
[GOL]A:405 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
13989 |
134.8 |
-1.7 |
0.312 |
2 |
0 |
0 |
0.028 |
8 |
11 |
|
[GOL]A:403 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
13989 |
121.7 |
0.1 |
0.598 |
4 |
0 |
0 |
0.019 |
9 |
12 |
|
[GOL]B:405 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
13916 |
121.6 |
-0.8 |
0.498 |
2 |
0 |
0 |
0.018 |
10 |
13 |
|
[GOL]B:407 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
13916 |
119.4 |
-0.2 |
0.577 |
6 |
0 |
0 |
0.031 |
11 |
14 |
|
[GOL]B:406 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
13916 |
111.6 |
-0.2 |
0.528 |
2 |
0 |
0 |
0.012 |
12 |
15 |
|
[EDO]B:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
13916 |
104.4 |
3.5 |
0.513 |
4 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]B:408 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
13916 |
100.6 |
2.1 |
0.348 |
3 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]A:407 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
13989 |
100.3 |
1.6 |
0.183 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
[GOL]A:406 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13989 |
90.1 |
0.3 |
0.670 |
2 |
0 |
0 |
0.007 |
16 |
19 |
|
[EDO]A:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13989 |
79.8 |
2.5 |
0.307 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
9 |
3 |
13916 |
f |
[EDO]A:404 |
x-1,y,z-1 |
1_454 |
4 |
1 |
185 |
73.6 |
1.4 |
0.777 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
B |
11 |
4 |
13916 |
◊ |
[GOL]A:406 |
x-1,y,z |
1_455 |
6 |
1 |
219 |
69.2 |
0.3 |
0.618 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
B |
6 |
2 |
13916 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
2 |
13989 |
68.2 |
1.1 |
0.828 |
1 |
3 |
0 |
0.000 |
20 |
23 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13916 |
48.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.196 |
24 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
13989 |
48.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.196 |
Average: |
48.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.196 |
21 |
25 |
|
[CO]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13916 |
44.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.187 |
26 |
|
[CO]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
13989 |
43.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.187 |
Average: |
44.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.187 |
22 |
27 |
|
[GOL]B:405 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13989 |
28.6 |
0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]A:407 |
4 |
1 |
185 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.050 |
29 |
|
[EDO]B:408 |
4 |
1 |
186 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
26.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.050 |
24 |
30 |
|
[EDO]A:407 |
3 |
1 |
185 |
f |
[CO]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.038 |
31 |
|
[EDO]B:408 |
3 |
1 |
186 |
f |
[CO]B:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
23.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.038 |
25 |
32 |
|
[CO]B:402 |
1 |
1 |
125 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.047 |
26 |
33 |
|
[CO]A:402 |
1 |
1 |
125 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
27 |
34 |
|
B |
2 |
1 |
13916 |
x |
B |
x,y,z-1 |
1_554 |
1 |
1 |
13916 |
20.4 |
-0.4 |
0.220 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
2 |
1 |
13989 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
13989 |
2.3 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
Average: |
11.4 |
-0.2 |
0.392 |
0 |
0 |
0 |
0.000 |
|