## |
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 |
|
E |
96 |
24 |
10084 |
◊ |
A |
x,y,z |
1_555 |
96 |
25 |
10074 |
1008.1 |
-18.2 |
0.030 |
7 |
2 |
0 |
0.578 |
2 |
|
C |
99 |
27 |
9843 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
95 |
24 |
10052 |
1001.9 |
-16.9 |
0.037 |
7 |
2 |
0 |
0.578 |
Average: |
1005.0 |
-17.5 |
0.034 |
7 |
2 |
0 |
0.578 |
2 |
3 |
|
H |
85 |
24 |
6469 |
◊ |
G |
x,y,z |
1_555 |
84 |
26 |
10052 |
842.5 |
-9.9 |
0.186 |
9 |
0 |
0 |
0.659 |
4 |
|
F |
86 |
24 |
6352 |
◊ |
E |
x,y,z |
1_555 |
85 |
26 |
10084 |
831.1 |
-9.4 |
0.230 |
12 |
1 |
0 |
0.659 |
5 |
|
B |
83 |
22 |
6373 |
◊ |
A |
x,y,z |
1_555 |
84 |
26 |
10074 |
803.4 |
-10.1 |
0.238 |
9 |
1 |
0 |
0.659 |
6 |
|
D |
81 |
22 |
6480 |
◊ |
C |
x,y,z |
1_555 |
85 |
26 |
9843 |
799.2 |
-9.6 |
0.193 |
12 |
1 |
0 |
0.659 |
Average: |
819.0 |
-9.8 |
0.212 |
11 |
1 |
0 |
0.659 |
3 |
7 |
|
C |
73 |
19 |
9843 |
◊ |
A |
x,y,z |
1_555 |
69 |
22 |
10074 |
606.8 |
-3.4 |
0.617 |
4 |
3 |
0 |
0.000 |
4 |
8 |
|
B |
58 |
19 |
6373 |
◊ |
D |
x-1,y,z |
1_455 |
58 |
19 |
6480 |
483.8 |
-0.6 |
0.755 |
9 |
0 |
0 |
0.000 |
9 |
|
H |
59 |
20 |
6469 |
◊ |
F |
x,y,z |
1_555 |
59 |
20 |
6352 |
482.8 |
-0.4 |
0.749 |
9 |
0 |
0 |
0.000 |
Average: |
483.3 |
-0.5 |
0.752 |
9 |
0 |
0 |
0.000 |
5 |
10 |
|
H |
40 |
13 |
6469 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
36 |
10 |
10052 |
312.4 |
-1.9 |
0.524 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
[ATP]G:701 |
27 |
1 |
654 |
f |
G |
x,y,z |
1_555 |
38 |
14 |
10052 |
308.6 |
-2.3 |
0.547 |
11 |
0 |
0 |
0.460 |
12 |
|
[ATP]A:701 |
25 |
1 |
652 |
f |
A |
x,y,z |
1_555 |
36 |
15 |
10074 |
279.2 |
-2.6 |
0.518 |
13 |
0 |
0 |
0.460 |
13 |
|
[ATP]C:701 |
27 |
1 |
656 |
f |
C |
x,y,z |
1_555 |
38 |
16 |
9843 |
267.4 |
-3.2 |
0.483 |
13 |
0 |
0 |
0.460 |
Average: |
285.1 |
-2.7 |
0.516 |
12 |
0 |
0 |
0.460 |
7 |
14 |
|
[ATP]E:701 |
26 |
1 |
658 |
f |
E |
x,y,z |
1_555 |
40 |
15 |
10084 |
303.6 |
-2.4 |
0.544 |
12 |
0 |
0 |
0.341 |
8 |
15 |
|
F |
27 |
8 |
6352 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
24 |
5 |
10084 |
218.8 |
1.2 |
0.818 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
H |
19 |
6 |
6469 |
◊ |
D |
x-1,y,z |
1_455 |
18 |
6 |
6480 |
153.7 |
-2.8 |
0.236 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
16 |
5 |
6373 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
6 |
6352 |
123.1 |
-2.4 |
0.264 |
0 |
0 |
0 |
0.000 |
Average: |
138.4 |
-2.6 |
0.250 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
D |
15 |
5 |
6480 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
5 |
10084 |
149.3 |
-0.4 |
0.620 |
4 |
0 |
0 |
0.000 |
11 |
19 |
|
G |
13 |
5 |
10052 |
x |
G |
x-1/2,-y-1/2,-z |
4_445 |
17 |
5 |
10052 |
116.7 |
0.4 |
0.678 |
1 |
1 |
0 |
0.000 |
12 |
20 |
|
[ATP]A:701 |
12 |
1 |
652 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
10084 |
109.5 |
0.5 |
0.554 |
1 |
0 |
0 |
0.015 |
21 |
|
C |
13 |
5 |
9843 |
◊ |
[ATP]G:701 |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
1 |
654 |
106.1 |
0.1 |
0.526 |
0 |
0 |
0 |
0.015 |
22 |
|
[ATP]E:701 |
12 |
1 |
658 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
10074 |
102.3 |
-0.2 |
0.539 |
1 |
0 |
0 |
0.015 |
Average: |
106.0 |
0.1 |
0.540 |
1 |
0 |
0 |
0.015 |
13 |
23 |
|
F |
11 |
2 |
6352 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
3 |
9843 |
102.5 |
0.4 |
0.690 |
2 |
3 |
0 |
0.000 |
24 |
|
A |
11 |
3 |
10074 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
2 |
6469 |
95.8 |
0.3 |
0.708 |
3 |
3 |
0 |
0.000 |
25 |
|
B |
11 |
2 |
6373 |
◊ |
G |
x,y,z |
1_555 |
9 |
2 |
10052 |
94.6 |
0.5 |
0.707 |
3 |
3 |
0 |
0.000 |
Average: |
97.6 |
0.4 |
0.701 |
3 |
3 |
0 |
0.000 |
14 |
26 |
|
[ATP]C:701 |
12 |
1 |
656 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
5 |
10052 |
100.7 |
1.2 |
0.591 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
D |
10 |
2 |
6480 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
3 |
10084 |
86.8 |
-0.3 |
0.579 |
2 |
0 |
0 |
0.000 |
16 |
28 |
|
E |
11 |
3 |
10084 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
4 |
9843 |
81.3 |
-1.5 |
0.339 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
11 |
3 |
9843 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
10084 |
71.6 |
-1.1 |
0.394 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
8 |
3 |
10074 |
◊ |
G |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
4 |
10052 |
68.5 |
-1.1 |
0.414 |
0 |
0 |
0 |
0.000 |
31 |
|
G |
8 |
3 |
10052 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
10074 |
68.2 |
-1.0 |
0.431 |
0 |
0 |
0 |
0.000 |
Average: |
72.4 |
-1.2 |
0.395 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
B |
8 |
3 |
6373 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
10084 |
81.2 |
-0.0 |
0.395 |
1 |
0 |
0 |
0.000 |
18 |
33 |
|
A |
9 |
3 |
10074 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
3 |
9843 |
68.4 |
-0.9 |
0.459 |
0 |
0 |
0 |
0.000 |
34 |
|
G |
9 |
3 |
10052 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
10084 |
66.1 |
-0.9 |
0.448 |
0 |
0 |
0 |
0.000 |
Average: |
67.2 |
-0.9 |
0.454 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
E |
6 |
3 |
10084 |
x |
E |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
10084 |
66.7 |
-0.8 |
0.339 |
0 |
1 |
0 |
0.000 |
20 |
36 |
|
G |
4 |
1 |
10052 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
6373 |
26.7 |
-0.5 |
0.350 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
B |
6 |
2 |
6373 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
9843 |
17.6 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
H |
2 |
1 |
6469 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
10074 |
14.0 |
-0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
C |
3 |
2 |
9843 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
6352 |
10.0 |
-0.3 |
0.341 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
G |
1 |
1 |
10052 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
6480 |
9.3 |
0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
B |
1 |
1 |
6373 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
10074 |
1.3 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
|