| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
148 |
32 |
5163 |
◊ |
A |
x,y,z |
1_555 |
178 |
57 |
42845 |
1617.2 |
-5.3 |
0.395 |
32 |
7 |
0 |
0.267 |
2 |
|
C |
144 |
41 |
8263 |
◊ |
A |
x,y,z |
1_555 |
163 |
55 |
42845 |
1447.0 |
-13.1 |
0.209 |
15 |
3 |
1 |
0.324 |
3 |
|
C |
56 |
16 |
8263 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
69 |
19 |
42845 |
603.8 |
-4.7 |
0.416 |
5 |
1 |
0 |
0.000 |
4 |
|
A |
59 |
16 |
42845 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
65 |
20 |
42845 |
591.2 |
-3.6 |
0.473 |
7 |
4 |
0 |
0.000 |
5 |
|
[ATP]A:1103 |
30 |
1 |
623 |
f |
A |
x,y,z |
1_555 |
56 |
26 |
42845 |
418.4 |
-0.5 |
0.669 |
14 |
0 |
0 |
0.090 |
6 |
|
A |
31 |
8 |
42845 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
30 |
8 |
5163 |
260.2 |
-0.5 |
0.439 |
6 |
4 |
0 |
0.000 |
7 |
|
[PG0]A:1104 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
42845 |
168.5 |
6.1 |
0.580 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:1109 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
42845 |
112.4 |
4.3 |
0.741 |
5 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:1108 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
42845 |
110.8 |
2.8 |
0.448 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:1107 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
42845 |
110.4 |
2.3 |
0.386 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:1105 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
42845 |
103.5 |
3.3 |
0.504 |
4 |
0 |
0 |
0.000 |
12 |
|
A |
13 |
6 |
42845 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
6 |
42845 |
97.5 |
-0.2 |
0.534 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:1106 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
42845 |
95.4 |
2.3 |
0.448 |
3 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:1110 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
42845 |
94.5 |
2.5 |
0.295 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:101 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
42845 |
89.2 |
2.6 |
0.486 |
1 |
0 |
0 |
0.000 |
16 |
|
[SO4]B:102 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
5163 |
84.2 |
-12.0 |
0.728 |
3 |
0 |
0 |
0.172 |
17 |
|
C |
11 |
3 |
8263 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
5163 |
75.4 |
0.3 |
0.639 |
1 |
1 |
0 |
0.003 |
18 |
|
[SO4]A:1111 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
42845 |
72.1 |
-10.4 |
0.636 |
3 |
0 |
0 |
0.157 |
19 |
|
[SO4]A:1112 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
42845 |
70.8 |
-9.4 |
0.927 |
2 |
0 |
0 |
0.137 |
20 |
|
[EDO]B:101 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
5163 |
67.9 |
2.0 |
0.291 |
4 |
0 |
0 |
0.000 |
21 |
|
[SO4]A:1113 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
42845 |
56.8 |
-7.8 |
0.701 |
0 |
0 |
0 |
0.104 |
22 |
|
[SO4]A:1113 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8263 |
50.5 |
-5.3 |
0.948 |
3 |
0 |
0 |
0.089 |
23 |
|
[MG]A:1102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
42845 |
44.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.076 |
24 |
|
[ATP]A:1103 |
6 |
1 |
623 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
5163 |
42.3 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.007 |
25 |
|
[ATP]A:1103 |
4 |
1 |
623 |
f |
[MG]A:1101 |
x,y,z |
1_555 |
1 |
1 |
98 |
40.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.082 |
26 |
|
[MG]A:1101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
42845 |
38.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.053 |
27 |
|
[ATP]A:1103 |
7 |
1 |
623 |
f |
[MG]A:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.063 |
28 |
|
[SO4]A:1112 |
4 |
1 |
185 |
f |
[EDO]A:1105 |
x,y,z |
1_555 |
4 |
1 |
182 |
30.9 |
-2.6 |
0.999 |
2 |
0 |
0 |
0.047 |
29 |
|
[EDO]A:1108 |
2 |
1 |
182 |
f |
[EDO]A:1107 |
x,y,z |
1_555 |
2 |
1 |
182 |
27.5 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
30 |
|
A |
1 |
1 |
42845 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
42845 |
21.1 |
0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
31 |
|
[SO4]B:102 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
42845 |
8.1 |
-1.1 |
0.560 |
0 |
0 |
0 |
0.014 |
|