| ## |
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 |
1385 |
358 |
50913 |
◊ |
A |
x,y,z |
1_555 |
1392 |
352 |
51492 |
13245.1 |
-132.6 |
0.026 |
159 |
49 |
0 |
0.552 |
| 2 |
2 |
|
[HTL]B:2236 |
29 |
1 |
653 |
f |
B |
x,y,z |
1_555 |
71 |
31 |
50913 |
405.3 |
-3.1 |
0.488 |
10 |
0 |
0 |
0.039 |
3 |
|
[HTL]A:2236 |
29 |
1 |
654 |
f |
A |
x,y,z |
1_555 |
67 |
30 |
51492 |
403.4 |
-3.3 |
0.462 |
9 |
0 |
0 |
0.039 |
| Average: |
404.4 |
-3.2 |
0.475 |
10 |
0 |
0 |
0.039 |
| 3 |
4 |
|
A |
50 |
16 |
51492 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
43 |
15 |
50913 |
396.1 |
-3.8 |
0.418 |
3 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
40 |
16 |
51492 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
11 |
50913 |
303.8 |
-1.0 |
0.677 |
3 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
24 |
10 |
50913 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
12 |
50913 |
285.0 |
-1.5 |
0.587 |
0 |
2 |
0 |
0.000 |
| 6 |
7 |
|
A |
27 |
7 |
51492 |
x |
A |
x-1,y,z |
1_455 |
26 |
8 |
51492 |
202.8 |
1.6 |
0.856 |
3 |
3 |
0 |
0.000 |
| 7 |
8 |
|
B |
21 |
7 |
50913 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
21 |
4 |
50913 |
201.2 |
-1.9 |
0.447 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[SF4]A:2234 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
27 |
16 |
51492 |
188.7 |
-21.6 |
0.258 |
0 |
0 |
0 |
0.114 |
10 |
|
[SF4]B:2234 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
26 |
15 |
50913 |
187.6 |
-21.7 |
0.263 |
0 |
0 |
0 |
0.114 |
| Average: |
188.2 |
-21.7 |
0.261 |
0 |
0 |
0 |
0.114 |
| 9 |
11 |
|
[SF4]A:2233 |
8 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
23 |
14 |
51492 |
179.6 |
-20.8 |
0.407 |
1 |
0 |
0 |
0.112 |
12 |
|
[SF4]B:2233 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
50913 |
178.9 |
-20.9 |
0.443 |
1 |
0 |
0 |
0.112 |
| Average: |
179.2 |
-20.8 |
0.425 |
1 |
0 |
0 |
0.112 |
| 10 |
13 |
|
[SF4]B:2235 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
30 |
15 |
50913 |
167.7 |
-18.3 |
0.349 |
0 |
0 |
0 |
0.096 |
14 |
|
[SF4]A:2235 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
30 |
15 |
51492 |
167.5 |
-18.2 |
0.385 |
0 |
0 |
0 |
0.096 |
| Average: |
167.6 |
-18.2 |
0.367 |
0 |
0 |
0 |
0.096 |
| 11 |
15 |
|
B |
18 |
8 |
50913 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
20 |
10 |
51492 |
140.7 |
2.2 |
0.913 |
1 |
2 |
0 |
0.000 |
| 12 |
16 |
|
B |
13 |
5 |
50913 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
51492 |
94.9 |
-0.7 |
0.559 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[CO2]B:2239 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
50913 |
61.9 |
0.0 |
0.434 |
3 |
0 |
0 |
0.003 |
| 14 |
18 |
|
[CO2]A:2239 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
51492 |
61.3 |
0.0 |
0.424 |
3 |
0 |
0 |
0.003 |
| 15 |
19 |
|
B |
7 |
2 |
50913 |
x |
B |
x-1,y,z |
1_455 |
9 |
3 |
50913 |
48.7 |
0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
A |
7 |
3 |
51492 |
x |
A |
x-1/2,-y-3/2,-z |
4_435 |
4 |
2 |
51492 |
42.2 |
0.3 |
0.739 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[CO2]A:2239 |
3 |
1 |
149 |
f |
[HTL]A:2236 |
x,y,z |
1_555 |
7 |
1 |
654 |
38.5 |
-0.3 |
0.352 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[CO2]B:2239 |
3 |
1 |
150 |
f |
[HTL]B:2236 |
x,y,z |
1_555 |
7 |
1 |
653 |
38.2 |
-0.1 |
0.364 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[MG]B:2237 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
50913 |
37.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.033 |
24 |
|
[MG]A:2237 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
51492 |
36.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
37.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| 20 |
25 |
|
[SF4]A:2235 |
4 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
50913 |
33.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
|
[SF4]B:2235 |
2 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
51492 |
32.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
32.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 21 |
27 |
|
[MG]B:2237 |
1 |
1 |
98 |
f |
[HTL]B:2236 |
x,y,z |
1_555 |
5 |
1 |
653 |
31.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
|
[MG]A:2237 |
1 |
1 |
98 |
f |
[HTL]A:2236 |
x,y,z |
1_555 |
5 |
1 |
654 |
30.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
30.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 22 |
29 |
|
[CO2]A:2239 |
2 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
50913 |
25.9 |
-0.6 |
0.201 |
0 |
0 |
0 |
0.002 |
| 23 |
30 |
|
[CO2]B:2239 |
2 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
51492 |
25.1 |
-0.4 |
0.234 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[HTL]A:2236 |
2 |
1 |
654 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
50913 |
21.6 |
-0.3 |
0.073 |
0 |
0 |
0 |
0.002 |
32 |
|
[HTL]B:2236 |
2 |
1 |
653 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
51492 |
21.0 |
-0.3 |
0.143 |
0 |
0 |
0 |
0.002 |
| Average: |
21.3 |
-0.3 |
0.108 |
0 |
0 |
0 |
0.002 |
| 25 |
33 |
|
[HTL]A:2236 |
4 |
1 |
654 |
f |
[SF4]A:2235 |
x,y,z |
1_555 |
2 |
1 |
309 |
18.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
34 |
|
[HTL]B:2236 |
4 |
1 |
653 |
f |
[SF4]B:2235 |
x,y,z |
1_555 |
2 |
1 |
308 |
18.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
18.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 26 |
35 |
|
A |
1 |
1 |
51492 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
2 |
1 |
50913 |
7.3 |
0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
|