## |
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 |
87 |
26 |
8905 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
92 |
27 |
9168 |
963.3 |
-18.0 |
0.033 |
10 |
6 |
0 |
0.231 |
2 |
2 |
|
A |
57 |
13 |
9168 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
54 |
15 |
9168 |
510.2 |
-3.0 |
0.589 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
41 |
16 |
8905 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
9168 |
414.3 |
-3.6 |
0.493 |
4 |
0 |
0 |
0.058 |
4 |
4 |
|
B |
37 |
12 |
8905 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
42 |
10 |
8905 |
339.2 |
-1.8 |
0.663 |
2 |
1 |
0 |
0.000 |
5 |
5 |
|
[ATP]B:201 |
27 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
48 |
17 |
8905 |
324.1 |
-0.5 |
0.712 |
17 |
0 |
0 |
0.088 |
6 |
6 |
|
A |
21 |
9 |
9168 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
10 |
8905 |
223.1 |
-3.8 |
0.253 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[PEG]B:205 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8905 |
102.1 |
0.5 |
0.190 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
11 |
4 |
9168 |
x |
A |
x-1,y,z |
1_455 |
10 |
4 |
9168 |
98.4 |
1.0 |
0.837 |
1 |
2 |
0 |
0.000 |
9 |
9 |
|
B |
11 |
6 |
8905 |
x |
B |
x-1,y,z |
1_455 |
9 |
4 |
8905 |
87.3 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
9168 |
82.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.130 |
11 |
11 |
|
B |
13 |
5 |
8905 |
◊ |
[PEG]B:206 |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
250 |
82.2 |
2.4 |
0.360 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
B |
16 |
4 |
8905 |
◊ |
[ATP]B:201 |
x-1/2,-y-1/2,-z |
4_445 |
8 |
1 |
627 |
82.1 |
-3.3 |
0.321 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9168 |
71.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.122 |
14 |
14 |
|
[PEG]B:206 |
6 |
1 |
250 |
f |
[ATP]B:201 |
x,y,z |
1_555 |
12 |
1 |
627 |
68.7 |
0.0 |
0.141 |
3 |
0 |
0 |
0.014 |
15 |
15 |
|
A |
5 |
2 |
9168 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
8905 |
67.2 |
-2.1 |
0.150 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
A |
13 |
5 |
9168 |
f |
[CL]A:205 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
59.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.074 |
17 |
17 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9168 |
58.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.182 |
18 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8905 |
55.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.182 |
Average: |
57.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.182 |
18 |
19 |
|
[MG]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8905 |
52.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.105 |
19 |
20 |
|
[PEG]B:206 |
4 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8905 |
49.8 |
0.9 |
0.279 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9168 |
47.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9168 |
43.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.090 |
23 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8905 |
31.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
37.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.090 |
22 |
24 |
|
[ATP]B:201 |
3 |
1 |
627 |
f |
[MG]B:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.059 |
23 |
25 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9168 |
36.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.049 |
24 |
26 |
|
[PEG]B:205 |
5 |
1 |
257 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
2 |
9168 |
34.0 |
0.7 |
0.236 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8905 |
32.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.039 |
26 |
28 |
|
B |
2 |
1 |
8905 |
◊ |
[ATP]B:201 |
x-1,y,z |
1_455 |
3 |
1 |
627 |
29.5 |
-0.9 |
0.263 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
B |
2 |
2 |
8905 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
2 |
9168 |
13.6 |
-0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
B |
3 |
2 |
8905 |
◊ |
[MG]B:202 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
9.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8905 |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|