## |
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 |
|
M |
89 |
25 |
4943 |
◊ |
A |
x,y,z |
1_555 |
102 |
25 |
14077 |
969.5 |
-13.4 |
0.220 |
8 |
3 |
0 |
0.409 |
2 |
2 |
|
M |
89 |
21 |
4943 |
◊ |
B |
x,y,z |
1_555 |
98 |
36 |
14597 |
885.6 |
-5.0 |
0.699 |
9 |
5 |
0 |
0.125 |
3 |
3 |
|
M |
60 |
14 |
4943 |
◊ |
C |
x,y,z |
1_555 |
74 |
23 |
14668 |
639.8 |
-8.8 |
0.268 |
5 |
0 |
0 |
0.014 |
4 |
4 |
|
B |
53 |
19 |
14597 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
58 |
20 |
14668 |
511.7 |
-7.4 |
0.252 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[ATP]A:377 |
30 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
74 |
26 |
14077 |
460.3 |
-2.4 |
0.642 |
16 |
0 |
0 |
0.250 |
6 |
|
[ATP]C:377 |
31 |
1 |
636 |
f |
C |
x,y,z |
1_555 |
75 |
26 |
14668 |
456.0 |
-2.6 |
0.609 |
16 |
0 |
0 |
0.250 |
7 |
|
[ATP]B:377 |
31 |
1 |
641 |
f |
B |
x,y,z |
1_555 |
77 |
25 |
14597 |
442.9 |
-2.8 |
0.660 |
16 |
0 |
0 |
0.250 |
Average: |
453.1 |
-2.6 |
0.637 |
16 |
0 |
0 |
0.250 |
6 |
8 |
|
[LAB]B:376 |
24 |
1 |
552 |
f |
C |
x,y,z |
1_555 |
50 |
17 |
14668 |
391.4 |
-2.0 |
0.471 |
4 |
0 |
0 |
0.114 |
9 |
|
[LAB]C:376 |
24 |
1 |
545 |
f |
B |
x,y,z |
1_555 |
50 |
18 |
14597 |
379.9 |
-2.4 |
0.510 |
4 |
0 |
0 |
0.114 |
10 |
|
[LAB]A:376 |
24 |
1 |
556 |
f |
A |
x,y,z |
1_555 |
44 |
14 |
14077 |
354.6 |
-2.9 |
0.424 |
4 |
0 |
0 |
0.114 |
Average: |
375.3 |
-2.4 |
0.468 |
4 |
0 |
0 |
0.114 |
7 |
11 |
|
C |
36 |
8 |
14668 |
◊ |
C |
y+1,x-1,-z |
7_645 |
34 |
8 |
14668 |
352.0 |
2.3 |
0.908 |
8 |
6 |
0 |
0.000 |
8 |
12 |
|
C |
41 |
12 |
14668 |
◊ |
A |
y,x-1,-z |
7_545 |
37 |
11 |
14077 |
308.6 |
-4.0 |
0.351 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
40 |
14 |
14597 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
14077 |
299.3 |
-0.0 |
0.815 |
2 |
2 |
0 |
0.016 |
10 |
14 |
|
C |
16 |
5 |
14668 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
14077 |
171.0 |
-0.8 |
0.442 |
2 |
2 |
0 |
0.003 |
11 |
15 |
|
B |
13 |
6 |
14597 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
9 |
14077 |
138.2 |
-0.5 |
0.611 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[MG]B:378 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
14597 |
53.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.147 |
17 |
|
[MG]C:378 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
14668 |
52.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.147 |
18 |
|
[MG]A:378 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14077 |
52.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
52.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.147 |
13 |
19 |
|
[ATP]C:377 |
5 |
1 |
636 |
f |
[LAB]B:376 |
x,y,z |
1_555 |
8 |
1 |
552 |
48.9 |
-0.2 |
0.470 |
0 |
0 |
0 |
0.020 |
20 |
|
[ATP]B:377 |
6 |
1 |
641 |
f |
[LAB]C:376 |
x,y,z |
1_555 |
7 |
1 |
545 |
43.5 |
-1.0 |
0.417 |
0 |
0 |
0 |
0.020 |
21 |
|
[ATP]A:377 |
5 |
1 |
635 |
f |
[LAB]A:376 |
x,y,z |
1_555 |
6 |
1 |
556 |
43.1 |
-0.6 |
0.428 |
0 |
0 |
0 |
0.020 |
Average: |
45.2 |
-0.6 |
0.439 |
0 |
0 |
0 |
0.020 |
14 |
22 |
|
[MG]B:378 |
1 |
1 |
98 |
f |
[ATP]B:377 |
x,y,z |
1_555 |
5 |
1 |
641 |
32.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.117 |
23 |
|
[MG]C:378 |
1 |
1 |
98 |
f |
[ATP]C:377 |
x,y,z |
1_555 |
4 |
1 |
636 |
32.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.117 |
24 |
|
[MG]A:378 |
1 |
1 |
98 |
f |
[ATP]A:377 |
x,y,z |
1_555 |
4 |
1 |
635 |
32.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
32.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.117 |
15 |
25 |
|
[ATP]B:377 |
2 |
1 |
641 |
◊ |
M |
x,y,z |
1_555 |
5 |
1 |
4943 |
31.4 |
0.7 |
0.728 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
B |
5 |
4 |
14597 |
◊ |
A |
-x+1/2,y-1/2,-z-1/4 |
5_544 |
3 |
2 |
14077 |
26.2 |
0.2 |
0.689 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
C |
2 |
1 |
14668 |
◊ |
[LAB]A:376 |
y,x-1,-z |
7_545 |
5 |
1 |
556 |
18.7 |
0.0 |
0.363 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[ATP]B:377 |
2 |
1 |
641 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14077 |
10.2 |
0.4 |
0.689 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
C |
1 |
1 |
14668 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14597 |
4.0 |
0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
B |
1 |
1 |
14597 |
x |
B |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
1 |
1 |
14597 |
3.1 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.000 |
|