## |
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 |
|
D |
225 |
60 |
12943 |
◊ |
C |
x,y,z |
1_555 |
234 |
62 |
12930 |
2294.4 |
-37.6 |
0.002 |
16 |
0 |
0 |
0.841 |
2 |
2 |
|
F |
226 |
60 |
12989 |
◊ |
E |
x,y,z |
1_555 |
225 |
59 |
12948 |
2275.2 |
-37.5 |
0.002 |
19 |
2 |
0 |
0.768 |
3 |
|
B |
224 |
58 |
12982 |
◊ |
A |
x,y,z |
1_555 |
225 |
61 |
12976 |
2267.6 |
-38.4 |
0.001 |
17 |
0 |
0 |
0.768 |
Average: |
2271.4 |
-37.9 |
0.001 |
18 |
1 |
0 |
0.768 |
3 |
4 |
|
H |
148 |
35 |
8098 |
◊ |
G |
x,y,z |
1_555 |
149 |
35 |
8071 |
1516.6 |
-20.1 |
0.036 |
10 |
2 |
0 |
0.657 |
4 |
5 |
|
F |
62 |
15 |
12989 |
◊ |
F |
-x-1,y,-z-1/2 |
3_454 |
61 |
15 |
12989 |
613.4 |
-7.1 |
0.182 |
6 |
2 |
0 |
0.000 |
5 |
6 |
|
H |
57 |
15 |
8098 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
56 |
14 |
12976 |
598.9 |
-8.1 |
0.121 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
60 |
17 |
12930 |
◊ |
C |
-x-1,y,-z-1/2 |
3_454 |
60 |
17 |
12930 |
597.4 |
-6.8 |
0.189 |
4 |
2 |
0 |
0.000 |
7 |
8 |
|
G |
58 |
17 |
8071 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
62 |
18 |
12982 |
561.7 |
-6.4 |
0.215 |
2 |
4 |
0 |
0.000 |
8 |
9 |
|
E |
55 |
16 |
12948 |
◊ |
D |
x,y,z |
1_555 |
50 |
15 |
12943 |
516.8 |
-8.9 |
0.074 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[ATP]F:601 |
29 |
1 |
616 |
f |
F |
x,y,z |
1_555 |
57 |
24 |
12989 |
408.0 |
-2.5 |
0.472 |
11 |
0 |
0 |
0.220 |
11 |
|
[ATP]E:601 |
31 |
1 |
617 |
f |
E |
x,y,z |
1_555 |
56 |
24 |
12948 |
407.3 |
-2.3 |
0.476 |
7 |
0 |
0 |
0.220 |
12 |
|
[ATP]B:601 |
29 |
1 |
619 |
f |
B |
x,y,z |
1_555 |
56 |
24 |
12982 |
406.7 |
-2.3 |
0.480 |
11 |
0 |
0 |
0.220 |
13 |
|
[ATP]A:601 |
30 |
1 |
616 |
f |
A |
x,y,z |
1_555 |
56 |
24 |
12976 |
406.0 |
-2.2 |
0.486 |
9 |
0 |
0 |
0.220 |
14 |
|
[ATP]D:601 |
30 |
1 |
620 |
f |
D |
x,y,z |
1_555 |
55 |
25 |
12943 |
405.6 |
-1.7 |
0.494 |
6 |
0 |
0 |
0.220 |
Average: |
406.7 |
-2.2 |
0.482 |
9 |
0 |
0 |
0.220 |
10 |
15 |
|
[ATP]C:601 |
31 |
1 |
615 |
f |
C |
x,y,z |
1_555 |
57 |
25 |
12930 |
405.7 |
-1.4 |
0.540 |
4 |
0 |
0 |
0.100 |
11 |
16 |
|
[ATP]G:601 |
29 |
1 |
617 |
f |
G |
x,y,z |
1_555 |
52 |
23 |
8071 |
403.3 |
-2.0 |
0.487 |
8 |
0 |
0 |
0.303 |
17 |
|
[ATP]H:601 |
30 |
1 |
604 |
f |
H |
x,y,z |
1_555 |
53 |
24 |
8098 |
397.5 |
-1.9 |
0.497 |
9 |
0 |
0 |
0.303 |
Average: |
400.4 |
-2.0 |
0.492 |
9 |
0 |
0 |
0.303 |
12 |
18 |
|
E |
45 |
14 |
12948 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
31 |
8 |
12982 |
386.2 |
1.4 |
0.518 |
5 |
6 |
0 |
0.000 |
13 |
19 |
|
F |
28 |
7 |
12989 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
12982 |
312.8 |
2.1 |
0.790 |
3 |
12 |
0 |
0.000 |
14 |
20 |
|
D |
37 |
12 |
12943 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
28 |
10 |
12982 |
292.0 |
-1.0 |
0.532 |
2 |
1 |
0 |
0.000 |
15 |
21 |
|
D |
29 |
8 |
12943 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
31 |
9 |
12976 |
268.9 |
0.6 |
0.678 |
1 |
1 |
0 |
0.000 |
16 |
22 |
|
C |
28 |
10 |
12930 |
◊ |
E |
x-1/2,y+1/2,z |
5_455 |
32 |
8 |
12948 |
268.0 |
1.3 |
0.737 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
F |
25 |
7 |
12989 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
24 |
6 |
12930 |
220.5 |
1.8 |
0.779 |
2 |
1 |
0 |
0.000 |
18 |
24 |
|
A |
20 |
8 |
12976 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
20 |
8 |
12976 |
212.6 |
-0.7 |
0.531 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
G |
26 |
7 |
8071 |
◊ |
D |
x,-y,-z |
4_555 |
25 |
7 |
12943 |
205.4 |
0.5 |
0.658 |
0 |
2 |
0 |
0.000 |
20 |
26 |
|
E |
15 |
3 |
12948 |
◊ |
D |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
18 |
7 |
12943 |
163.1 |
2.2 |
0.696 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
D |
17 |
7 |
12943 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
12976 |
143.3 |
2.8 |
0.850 |
4 |
3 |
0 |
0.000 |
22 |
28 |
|
H |
16 |
7 |
8098 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
10 |
3 |
12930 |
90.1 |
0.4 |
0.650 |
2 |
6 |
0 |
0.000 |
23 |
29 |
|
[ATP]C:601 |
5 |
1 |
615 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
12943 |
54.8 |
-0.5 |
0.545 |
2 |
0 |
0 |
0.017 |
30 |
|
[ATP]D:601 |
4 |
1 |
620 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12930 |
45.6 |
0.4 |
0.662 |
0 |
0 |
0 |
0.017 |
Average: |
50.2 |
-0.0 |
0.603 |
1 |
0 |
0 |
0.017 |
24 |
31 |
|
[ATP]H:601 |
6 |
1 |
604 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
8071 |
54.1 |
-0.5 |
0.547 |
2 |
0 |
0 |
0.039 |
32 |
|
[ATP]G:601 |
5 |
1 |
617 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
8098 |
39.0 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.039 |
Average: |
46.5 |
-0.3 |
0.562 |
1 |
0 |
0 |
0.039 |
25 |
33 |
|
[ATP]E:601 |
6 |
1 |
617 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
12989 |
50.2 |
-0.4 |
0.568 |
2 |
0 |
0 |
0.027 |
34 |
|
[ATP]A:601 |
6 |
1 |
616 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12982 |
46.8 |
-0.2 |
0.594 |
2 |
0 |
0 |
0.027 |
35 |
|
[ATP]B:601 |
5 |
1 |
619 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
12976 |
45.1 |
-0.1 |
0.596 |
1 |
0 |
0 |
0.027 |
36 |
|
[ATP]F:601 |
4 |
1 |
616 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
12948 |
42.8 |
0.0 |
0.601 |
0 |
0 |
0 |
0.027 |
Average: |
46.3 |
-0.2 |
0.590 |
1 |
0 |
0 |
0.027 |
26 |
37 |
|
E |
4 |
2 |
12948 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
4 |
2 |
12930 |
45.1 |
0.7 |
0.790 |
1 |
0 |
0 |
0.000 |
27 |
38 |
|
D |
5 |
3 |
12943 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
3 |
3 |
12982 |
33.7 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
H |
3 |
1 |
8098 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
12982 |
7.4 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
F |
1 |
1 |
12989 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
12976 |
4.8 |
0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
H |
3 |
3 |
8098 |
◊ |
G |
x-1/2,-y-1/2,-z |
8_445 |
2 |
1 |
8071 |
3.5 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
E |
1 |
1 |
12948 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
12976 |
0.8 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
G |
1 |
1 |
8071 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
12976 |
0.5 |
0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
|