| ## |
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 |
133 |
36 |
11604 |
◊ |
A |
x,y,z |
1_555 |
133 |
36 |
11577 |
1289.4 |
-27.9 |
0.002 |
4 |
8 |
0 |
0.441 |
| 2 |
2 |
|
B |
76 |
25 |
11604 |
x |
B |
z,x,y |
5_555 |
93 |
29 |
11604 |
826.4 |
-6.0 |
0.435 |
6 |
4 |
0 |
0.321 |
3 |
|
A |
95 |
29 |
11577 |
x |
A |
z,x,y |
5_555 |
73 |
25 |
11577 |
822.2 |
-5.9 |
0.450 |
3 |
4 |
0 |
0.321 |
| Average: |
824.3 |
-5.9 |
0.443 |
5 |
4 |
0 |
0.321 |
| 3 |
4 |
|
B |
87 |
20 |
11604 |
◊ |
A |
z,x,y |
5_555 |
85 |
20 |
11577 |
733.8 |
-2.4 |
0.700 |
4 |
6 |
0 |
0.054 |
| 4 |
5 |
|
B |
54 |
11 |
11604 |
◊ |
A |
z-1/2,-x-1/2,-y |
6_445 |
46 |
10 |
11577 |
442.1 |
-2.2 |
0.609 |
1 |
3 |
0 |
0.000 |
| 5 |
6 |
|
[PYR]A:4000 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
11577 |
92.8 |
2.3 |
0.523 |
4 |
0 |
0 |
0.000 |
7 |
|
[PYR]B:4000 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
11604 |
92.0 |
2.4 |
0.557 |
4 |
0 |
0 |
0.000 |
| Average: |
92.4 |
2.3 |
0.540 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[SSN]A:4002 |
7 |
1 |
247 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11577 |
90.9 |
0.6 |
0.244 |
1 |
0 |
0 |
0.000 |
9 |
|
[SSN]B:4002 |
7 |
1 |
244 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
11604 |
88.0 |
0.6 |
0.252 |
1 |
0 |
0 |
0.000 |
| Average: |
89.5 |
0.6 |
0.248 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
12 |
6 |
11604 |
◊ |
[SSN]B:4002 |
z,x,y |
5_555 |
7 |
1 |
244 |
80.2 |
1.3 |
0.327 |
2 |
0 |
0 |
0.000 |
11 |
|
[SSN]A:4002 |
7 |
1 |
247 |
◊ |
A |
z,x,y |
5_555 |
11 |
6 |
11577 |
80.1 |
1.3 |
0.309 |
0 |
0 |
0 |
0.000 |
| Average: |
80.1 |
1.3 |
0.318 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[GOL]A:1252 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11577 |
66.0 |
-0.6 |
0.474 |
0 |
0 |
0 |
0.009 |
| 9 |
13 |
|
[GOL]B:1252 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
11604 |
64.3 |
-0.6 |
0.483 |
0 |
0 |
0 |
0.009 |
| 10 |
14 |
|
[GOL]A:1252 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11604 |
61.6 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.003 |
| 11 |
15 |
|
[GOL]B:1252 |
3 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11577 |
60.6 |
-0.8 |
0.403 |
0 |
0 |
0 |
0.012 |
| 12 |
16 |
|
B |
6 |
4 |
11604 |
◊ |
[GOL]A:1252 |
z,x,y |
5_555 |
3 |
1 |
220 |
49.9 |
-0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[GOL]B:1252 |
2 |
1 |
220 |
◊ |
A |
z,x,y |
5_555 |
6 |
4 |
11577 |
48.9 |
-0.5 |
0.393 |
0 |
0 |
0 |
0.006 |
| 14 |
18 |
|
[CO]A:1000 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
11577 |
44.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.239 |
19 |
|
[CO]B:1000 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
11604 |
44.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.239 |
| Average: |
44.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.239 |
| 15 |
20 |
|
[MG]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
11604 |
34.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.185 |
21 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
11577 |
34.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.185 |
| Average: |
34.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.185 |
| 16 |
22 |
|
[SSN]B:4002 |
4 |
1 |
244 |
f |
[PYR]B:4000 |
x,y,z |
1_555 |
5 |
1 |
213 |
32.7 |
1.0 |
0.318 |
0 |
0 |
0 |
0.000 |
23 |
|
[SSN]A:4002 |
5 |
1 |
247 |
f |
[PYR]A:4000 |
x,y,z |
1_555 |
5 |
1 |
216 |
32.6 |
0.9 |
0.280 |
0 |
0 |
0 |
0.000 |
| Average: |
32.6 |
0.9 |
0.299 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[PYR]A:4000 |
4 |
1 |
216 |
f |
[CO]A:1000 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.105 |
25 |
|
[PYR]B:4000 |
4 |
1 |
213 |
f |
[CO]B:1000 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
29.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.105 |
| 18 |
26 |
|
[PYR]B:4000 |
4 |
1 |
213 |
f |
[MG]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.097 |
27 |
|
[PYR]A:4000 |
4 |
1 |
216 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
24.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.097 |
| 19 |
28 |
|
[GOL]B:1252 |
1 |
1 |
220 |
f |
[GOL]A:1252 |
x,y,z |
1_555 |
1 |
1 |
220 |
12.5 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[SSN]B:4002 |
2 |
1 |
244 |
f |
[CO]B:1000 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.045 |
30 |
|
[SSN]A:4002 |
2 |
1 |
247 |
f |
[CO]A:1000 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
11.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.045 |
| 21 |
31 |
|
B |
3 |
1 |
11604 |
◊ |
[CO]B:1000 |
z,x,y |
5_555 |
1 |
1 |
125 |
11.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.036 |
32 |
|
[CO]A:1000 |
1 |
1 |
125 |
◊ |
A |
z,x,y |
5_555 |
4 |
2 |
11577 |
11.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
11.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| 22 |
33 |
|
[PYR]A:4000 |
4 |
1 |
216 |
◊ |
A |
z,x,y |
5_555 |
2 |
1 |
11577 |
11.0 |
0.3 |
0.883 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
2 |
1 |
11604 |
◊ |
[PYR]B:4000 |
z,x,y |
5_555 |
4 |
1 |
213 |
10.2 |
0.3 |
0.879 |
0 |
0 |
0 |
0.000 |
| Average: |
10.6 |
0.3 |
0.881 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[MG]A:1001 |
1 |
1 |
98 |
◊ |
A |
z,x,y |
5_555 |
2 |
1 |
11577 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.022 |
36 |
|
B |
2 |
1 |
11604 |
◊ |
[MG]B:1001 |
z,x,y |
5_555 |
1 |
1 |
98 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
8.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 24 |
37 |
|
[SSN]B:4002 |
2 |
1 |
244 |
f |
[MG]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
38 |
|
[SSN]A:4002 |
2 |
1 |
247 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
8.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
|