## |
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 |
65 |
24 |
12639 |
x |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
60 |
17 |
12639 |
594.8 |
0.0 |
0.760 |
4 |
4 |
0 |
0.000 |
2 |
|
A |
59 |
17 |
12486 |
x |
A |
-y+2,x-y+2,z-1/3 |
2_774 |
66 |
25 |
12486 |
588.3 |
-0.2 |
0.765 |
5 |
5 |
0 |
0.000 |
Average: |
591.6 |
-0.1 |
0.762 |
5 |
5 |
0 |
0.000 |
2 |
3 |
|
A |
51 |
15 |
12486 |
◊ |
B |
-y+1,x-y+2,z+2/3 |
2_675 |
54 |
15 |
12639 |
545.3 |
-7.8 |
0.150 |
3 |
4 |
0 |
0.000 |
3 |
4 |
|
[ATP]B:3269 |
31 |
1 |
622 |
f |
B |
x,y,z |
1_555 |
61 |
26 |
12639 |
447.0 |
-1.4 |
0.669 |
13 |
0 |
0 |
0.022 |
5 |
|
[ATP]A:3265 |
31 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
60 |
26 |
12486 |
441.9 |
-1.0 |
0.690 |
11 |
0 |
0 |
0.022 |
Average: |
444.5 |
-1.2 |
0.679 |
12 |
0 |
0 |
0.022 |
4 |
6 |
|
B |
41 |
13 |
12639 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
12486 |
366.5 |
0.1 |
0.746 |
5 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
37 |
12 |
12639 |
◊ |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
29 |
11 |
12486 |
304.9 |
-0.8 |
0.491 |
5 |
0 |
0 |
0.000 |
8 |
|
B |
35 |
13 |
12639 |
◊ |
A |
-y+2,x-y+2,z-1/3 |
2_774 |
35 |
12 |
12486 |
303.5 |
-0.9 |
0.506 |
4 |
0 |
0 |
0.000 |
Average: |
304.2 |
-0.9 |
0.499 |
5 |
0 |
0 |
0.000 |
6 |
9 |
|
[PGE]B:1264 |
8 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12639 |
115.9 |
3.8 |
0.323 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[PEG]A:1263 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12486 |
110.3 |
3.8 |
0.413 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[PEG]B:1265 |
7 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
12639 |
108.3 |
2.6 |
0.273 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]A:1265 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12486 |
91.1 |
1.6 |
0.226 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]B:1267 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12639 |
80.1 |
2.0 |
0.264 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[PEG]B:1265 |
7 |
1 |
256 |
f |
A |
-y+2,x-y+2,z-1/3 |
2_774 |
7 |
3 |
12486 |
80.1 |
0.3 |
0.114 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]B:1266 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
12639 |
79.1 |
1.9 |
0.249 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
9 |
3 |
12639 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
2 |
12486 |
75.2 |
1.9 |
0.908 |
1 |
1 |
0 |
0.000 |
14 |
17 |
|
[EDO]B:1266 |
4 |
1 |
183 |
f |
A |
-y+2,x-y+2,z-1/3 |
2_774 |
11 |
3 |
12486 |
69.5 |
2.1 |
0.295 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]A:1264 |
4 |
1 |
185 |
f |
A |
-y+2,x-y+2,z-1/3 |
2_774 |
8 |
3 |
12486 |
68.8 |
1.3 |
0.691 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[MG]B:3001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12639 |
65.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
20 |
|
B |
7 |
2 |
12639 |
◊ |
A |
-y+1,x-y+2,z-1/3 |
2_674 |
7 |
2 |
12486 |
61.4 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]A:1264 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
12486 |
56.1 |
1.8 |
0.785 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[CL]B:1268 |
1 |
1 |
125 |
f |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
11 |
6 |
12639 |
54.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.027 |
23 |
|
A |
12 |
6 |
12486 |
f |
[CL]A:1267 |
-y+2,x-y+2,z-1/3 |
2_774 |
1 |
1 |
125 |
53.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
54.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.027 |
20 |
24 |
|
B |
9 |
4 |
12639 |
f |
[EDO]A:1266 |
-y+2,x-y+2,z-1/3 |
2_774 |
3 |
1 |
184 |
51.1 |
1.4 |
0.272 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[CL]B:1268 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12639 |
45.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[CL]A:1267 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12486 |
45.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
45.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]A:1266 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12486 |
45.1 |
1.2 |
0.805 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[MG]B:3268 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12639 |
37.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
|
[MG]A:3264 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12486 |
37.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
37.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.022 |
24 |
30 |
|
[MG]A:3263 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12486 |
32.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.017 |
31 |
|
[MG]B:3267 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12639 |
32.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
32.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.017 |
25 |
32 |
|
[ATP]B:3269 |
4 |
1 |
622 |
f |
[MG]B:3267 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.018 |
33 |
|
[ATP]A:3265 |
5 |
1 |
627 |
f |
[MG]A:3263 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
31.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.018 |
26 |
34 |
|
[ATP]A:3265 |
4 |
1 |
627 |
f |
[MG]A:3264 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.014 |
35 |
|
[ATP]B:3269 |
4 |
1 |
622 |
f |
[MG]B:3268 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
26.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
36 |
|
[PEG]B:1265 |
2 |
1 |
256 |
◊ |
[EDO]A:1266 |
-y+2,x-y+2,z-1/3 |
2_774 |
2 |
1 |
184 |
16.4 |
1.1 |
0.495 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[MG]B:3268 |
1 |
1 |
98 |
f |
[MG]B:3267 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.006 |
29 |
38 |
|
[MG]A:3264 |
1 |
1 |
98 |
f |
[MG]A:3263 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.008 |
|