## |
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 |
|
A |
54 |
17 |
12942 |
x |
A |
-y,x-y+1,z-1/3 |
2_564 |
65 |
23 |
12942 |
583.3 |
-0.7 |
0.667 |
6 |
5 |
0 |
0.000 |
2 |
|
B |
64 |
23 |
12921 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
57 |
17 |
12921 |
582.1 |
-0.6 |
0.684 |
6 |
5 |
0 |
0.000 |
Average: |
582.7 |
-0.6 |
0.676 |
6 |
5 |
0 |
0.000 |
2 |
3 |
|
A |
53 |
15 |
12942 |
◊ |
B |
-y-1,x-y,z+2/3 |
2_455 |
53 |
15 |
12921 |
564.2 |
-8.7 |
0.079 |
4 |
4 |
0 |
0.010 |
3 |
4 |
|
[ATP]A:301 |
31 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
61 |
23 |
12942 |
423.4 |
-1.2 |
0.672 |
10 |
0 |
0 |
0.012 |
5 |
|
[ATP]B:301 |
30 |
1 |
625 |
f |
B |
x,y,z |
1_555 |
62 |
23 |
12921 |
423.0 |
-1.1 |
0.664 |
10 |
0 |
0 |
0.012 |
Average: |
423.2 |
-1.2 |
0.668 |
10 |
0 |
0 |
0.012 |
4 |
6 |
|
[71R]A:302 |
29 |
1 |
709 |
f |
A |
x,y,z |
1_555 |
49 |
16 |
12942 |
369.2 |
-5.1 |
0.601 |
6 |
0 |
0 |
0.016 |
7 |
|
[71R]B:302 |
29 |
1 |
703 |
f |
B |
x,y,z |
1_555 |
50 |
16 |
12921 |
365.5 |
-5.0 |
0.617 |
6 |
0 |
0 |
0.016 |
Average: |
367.4 |
-5.0 |
0.609 |
6 |
0 |
0 |
0.016 |
5 |
8 |
|
B |
37 |
12 |
12921 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
32 |
13 |
12942 |
319.1 |
-1.7 |
0.444 |
4 |
0 |
0 |
0.000 |
9 |
|
B |
33 |
13 |
12921 |
◊ |
A |
-y,x-y+1,z-1/3 |
2_564 |
38 |
12 |
12942 |
315.9 |
-1.4 |
0.484 |
4 |
0 |
0 |
0.000 |
Average: |
317.5 |
-1.6 |
0.464 |
4 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
29 |
13 |
12921 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
12942 |
272.2 |
-2.0 |
0.430 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[EDO]B:307 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12921 |
70.4 |
1.4 |
0.769 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
8 |
2 |
12921 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
2 |
12942 |
70.1 |
1.6 |
0.891 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[71R]A:302 |
8 |
1 |
709 |
f |
[ATP]A:301 |
x,y,z |
1_555 |
8 |
1 |
626 |
69.0 |
-0.8 |
0.598 |
1 |
0 |
0 |
0.003 |
14 |
|
[71R]B:302 |
7 |
1 |
703 |
f |
[ATP]B:301 |
x,y,z |
1_555 |
8 |
1 |
625 |
68.5 |
-0.8 |
0.585 |
1 |
0 |
0 |
0.003 |
Average: |
68.7 |
-0.8 |
0.591 |
1 |
0 |
0 |
0.003 |
10 |
15 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12942 |
68.7 |
1.3 |
0.681 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]B:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
12921 |
67.0 |
1.5 |
0.682 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
A |
12 |
5 |
12942 |
◊ |
[EDO]A:306 |
-y,x-y+1,z-1/3 |
2_564 |
4 |
1 |
185 |
63.2 |
1.8 |
0.780 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
B |
-y,x-y,z-1/3 |
2_554 |
12 |
5 |
12921 |
62.9 |
1.5 |
0.785 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
A |
9 |
4 |
12942 |
◊ |
[EDO]B:307 |
-y-1,x-y,z+2/3 |
2_455 |
3 |
1 |
182 |
59.5 |
2.0 |
0.292 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
-y,x-y,z-1/3 |
2_554 |
12 |
6 |
12921 |
54.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.016 |
21 |
|
A |
12 |
6 |
12942 |
f |
[CL]A:304 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
125 |
54.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
54.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.016 |
16 |
22 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12942 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12921 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12942 |
31.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.013 |
25 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12921 |
31.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
31.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.013 |
18 |
26 |
|
[CA]B:306 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12921 |
30.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12942 |
30.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
30.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.014 |
19 |
28 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
[ATP]A:301 |
x,y,z |
1_555 |
3 |
1 |
626 |
27.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
29 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
[ATP]B:301 |
x,y,z |
1_555 |
3 |
1 |
625 |
27.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
27.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
20 |
30 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
[ATP]A:301 |
x,y,z |
1_555 |
3 |
1 |
626 |
20.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
31 |
|
[CA]B:306 |
1 |
1 |
85 |
f |
[ATP]B:301 |
x,y,z |
1_555 |
3 |
1 |
625 |
20.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
20.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
21 |
32 |
|
[CA]B:306 |
1 |
1 |
85 |
f |
[71R]B:302 |
x,y,z |
1_555 |
3 |
1 |
703 |
13.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
[71R]A:302 |
x,y,z |
1_555 |
3 |
1 |
709 |
13.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
13.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.004 |
22 |
34 |
|
[CA]B:306 |
1 |
1 |
85 |
f |
[CA]B:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
23 |
35 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
24 |
36 |
|
[EDO]B:307 |
1 |
1 |
182 |
f |
B |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
12921 |
3.9 |
0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
|