| ## |
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 |
|
F |
215 |
45 |
10777 |
◊ |
D |
x,y,z |
1_555 |
210 |
53 |
15284 |
2105.4 |
-38.6 |
0.003 |
13 |
8 |
0 |
1.000 |
| 2 |
2 |
|
D |
175 |
44 |
15284 |
◊ |
A |
x,y,z |
1_555 |
173 |
43 |
19748 |
1611.3 |
-9.7 |
0.343 |
24 |
15 |
0 |
0.425 |
| 3 |
3 |
|
F |
126 |
31 |
10777 |
◊ |
C |
x,y,z |
1_555 |
120 |
40 |
14614 |
1146.7 |
-6.2 |
0.444 |
13 |
4 |
0 |
0.329 |
| 4 |
4 |
|
G |
95 |
25 |
8910 |
◊ |
F |
x,y,z |
1_555 |
110 |
31 |
10777 |
939.7 |
-12.6 |
0.148 |
7 |
0 |
0 |
1.000 |
| 5 |
5 |
|
E |
86 |
19 |
9193 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
19748 |
871.2 |
-8.8 |
0.193 |
10 |
7 |
0 |
0.319 |
| 6 |
6 |
|
F |
81 |
20 |
10777 |
◊ |
B |
x,y,z |
1_555 |
84 |
24 |
12640 |
793.1 |
-5.2 |
0.470 |
16 |
5 |
0 |
0.360 |
| 7 |
7 |
|
G |
70 |
21 |
8910 |
◊ |
C |
x,y,z |
1_555 |
72 |
22 |
14614 |
654.3 |
-5.5 |
0.266 |
9 |
2 |
0 |
0.258 |
| 8 |
8 |
|
E |
62 |
20 |
9193 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
64 |
16 |
15284 |
574.1 |
1.8 |
0.787 |
10 |
5 |
0 |
0.000 |
| 9 |
9 |
|
B |
64 |
15 |
12640 |
◊ |
A |
x,y,z |
1_555 |
66 |
19 |
19748 |
570.9 |
-3.2 |
0.514 |
5 |
0 |
0 |
0.030 |
| 10 |
10 |
|
G |
54 |
11 |
8910 |
◊ |
B |
x,y,z |
1_555 |
64 |
20 |
12640 |
512.4 |
-3.9 |
0.411 |
5 |
5 |
0 |
0.118 |
| 11 |
11 |
|
C |
48 |
13 |
14614 |
◊ |
D |
x-1,y,z |
1_455 |
50 |
16 |
15284 |
510.8 |
0.3 |
0.627 |
10 |
6 |
0 |
0.000 |
| 12 |
12 |
|
[ATP]A:1001 |
30 |
1 |
644 |
f |
A |
x,y,z |
1_555 |
75 |
26 |
19748 |
460.3 |
-1.0 |
0.635 |
15 |
0 |
0 |
0.171 |
| 13 |
13 |
|
F |
41 |
13 |
10777 |
◊ |
A |
x,y,z |
1_555 |
51 |
17 |
19748 |
438.2 |
-0.7 |
0.683 |
6 |
10 |
0 |
0.047 |
| 14 |
14 |
|
[ATP]B:401 |
30 |
1 |
628 |
f |
B |
x,y,z |
1_555 |
61 |
22 |
12640 |
415.1 |
-3.3 |
0.524 |
15 |
0 |
0 |
0.277 |
| 15 |
15 |
|
[C69]A:1002 |
22 |
1 |
529 |
f |
A |
x,y,z |
1_555 |
65 |
23 |
19748 |
398.5 |
-9.4 |
0.383 |
1 |
0 |
0 |
0.220 |
| 16 |
16 |
|
C |
37 |
13 |
14614 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
38 |
13 |
15284 |
330.0 |
-0.8 |
0.550 |
2 |
0 |
0 |
0.000 |
| 17 |
17 |
|
C |
27 |
11 |
14614 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
8 |
19748 |
268.0 |
0.5 |
0.669 |
4 |
2 |
0 |
0.000 |
| 18 |
18 |
|
G |
33 |
9 |
8910 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
32 |
11 |
15284 |
245.9 |
-2.4 |
0.405 |
3 |
2 |
0 |
0.000 |
| 19 |
19 |
|
C |
26 |
8 |
14614 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
12640 |
197.2 |
1.1 |
0.735 |
3 |
4 |
0 |
0.010 |
| 20 |
20 |
|
E |
14 |
6 |
9193 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
5 |
8910 |
118.1 |
-2.5 |
0.191 |
0 |
0 |
0 |
0.000 |
| 21 |
21 |
|
C |
11 |
4 |
14614 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
19748 |
105.1 |
0.5 |
0.699 |
2 |
0 |
0 |
0.000 |
| 22 |
22 |
|
E |
5 |
1 |
9193 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
10777 |
62.6 |
1.5 |
0.863 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
A |
8 |
3 |
19748 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
12640 |
51.1 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[CA]A:1003 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
19748 |
45.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.168 |
| 25 |
25 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12640 |
43.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.195 |
| 26 |
26 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
5 |
1 |
628 |
30.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.168 |
27 |
|
[CA]A:1003 |
1 |
1 |
85 |
f |
[ATP]A:1001 |
x,y,z |
1_555 |
4 |
1 |
644 |
29.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.168 |
| Average: |
29.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.168 |
| 27 |
28 |
|
D |
2 |
1 |
15284 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
14614 |
28.2 |
-0.6 |
0.247 |
0 |
0 |
0 |
0.004 |
|