| ## |
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 |
|
B |
100 |
29 |
13704 |
◊ |
A |
x,y,z |
1_555 |
108 |
31 |
13767 |
950.3 |
-10.1 |
0.052 |
5 |
7 |
0 |
0.021 |
2 |
|
C |
108 |
33 |
13782 |
◊ |
D |
-x+3,y-1/2,-z-1 |
2_844 |
96 |
27 |
13763 |
950.3 |
-10.4 |
0.051 |
3 |
6 |
0 |
0.021 |
| Average: |
950.3 |
-10.2 |
0.052 |
4 |
7 |
0 |
0.021 |
| 2 |
3 |
|
D |
73 |
20 |
13763 |
◊ |
B |
x,y,z |
1_555 |
75 |
22 |
13704 |
683.3 |
2.9 |
0.652 |
12 |
9 |
0 |
0.000 |
4 |
|
B |
68 |
19 |
13704 |
◊ |
D |
x-1,y,z |
1_455 |
75 |
22 |
13763 |
675.1 |
2.6 |
0.700 |
5 |
10 |
0 |
0.000 |
| Average: |
679.2 |
2.8 |
0.676 |
9 |
10 |
0 |
0.000 |
| 3 |
5 |
|
C |
51 |
18 |
13782 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
13767 |
472.9 |
1.2 |
0.560 |
4 |
5 |
0 |
0.000 |
| 4 |
6 |
|
[ATP]D:401 |
29 |
1 |
612 |
f |
D |
x,y,z |
1_555 |
65 |
27 |
13763 |
430.1 |
-1.5 |
0.462 |
5 |
0 |
0 |
0.019 |
7 |
|
[ATP]B:401 |
29 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
62 |
26 |
13704 |
425.7 |
-1.4 |
0.473 |
6 |
0 |
0 |
0.019 |
8 |
|
[ATP]A:401 |
30 |
1 |
611 |
f |
A |
x,y,z |
1_555 |
60 |
26 |
13767 |
424.3 |
-0.8 |
0.490 |
6 |
0 |
0 |
0.019 |
9 |
|
[ATP]C:401 |
29 |
1 |
606 |
f |
C |
x,y,z |
1_555 |
64 |
26 |
13782 |
422.4 |
-1.2 |
0.492 |
8 |
0 |
0 |
0.019 |
| Average: |
425.7 |
-1.3 |
0.479 |
6 |
0 |
0 |
0.019 |
| 5 |
10 |
|
C |
43 |
15 |
13782 |
◊ |
A |
-x+2,y-1/2,-z-2 |
2_743 |
42 |
12 |
13767 |
341.6 |
2.9 |
0.757 |
1 |
2 |
0 |
0.000 |
11 |
|
C |
45 |
14 |
13782 |
◊ |
A |
-x+3,y-1/2,-z-2 |
2_843 |
43 |
15 |
13767 |
341.3 |
2.9 |
0.763 |
3 |
2 |
0 |
0.000 |
| Average: |
341.5 |
2.9 |
0.760 |
2 |
2 |
0 |
0.000 |
| 6 |
12 |
|
A |
28 |
9 |
13767 |
◊ |
B |
x,y,z-1 |
1_554 |
27 |
10 |
13704 |
232.4 |
-0.5 |
0.440 |
0 |
3 |
0 |
0.000 |
13 |
|
C |
28 |
10 |
13782 |
◊ |
D |
-x+3,y-1/2,-z-2 |
2_843 |
25 |
10 |
13763 |
229.0 |
-0.7 |
0.443 |
0 |
3 |
0 |
0.000 |
| Average: |
230.7 |
-0.6 |
0.441 |
0 |
3 |
0 |
0.000 |
| 7 |
14 |
|
B |
17 |
7 |
13704 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
4 |
13782 |
160.3 |
1.4 |
0.600 |
1 |
0 |
0 |
0.000 |
| 8 |
15 |
|
B |
15 |
6 |
13704 |
◊ |
D |
-x+2,y-1/2,-z-1 |
2_744 |
16 |
6 |
13763 |
153.9 |
-1.2 |
0.294 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
D |
13 |
7 |
13763 |
x |
D |
x-1,y,z |
1_455 |
16 |
6 |
13763 |
106.8 |
1.6 |
0.774 |
1 |
0 |
0 |
0.000 |
17 |
|
B |
11 |
6 |
13704 |
x |
B |
x-1,y,z |
1_455 |
15 |
7 |
13704 |
86.4 |
1.1 |
0.722 |
0 |
0 |
0 |
0.000 |
| Average: |
96.6 |
1.4 |
0.748 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
13767 |
70.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.042 |
19 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
13704 |
69.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.042 |
20 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
13763 |
69.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.042 |
21 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
13782 |
68.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
69.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.042 |
| 11 |
22 |
|
A |
8 |
4 |
13767 |
x |
A |
x-1,y,z |
1_455 |
9 |
6 |
13767 |
54.8 |
0.5 |
0.612 |
0 |
0 |
0 |
0.000 |
23 |
|
C |
7 |
5 |
13782 |
x |
C |
x-1,y,z |
1_455 |
7 |
3 |
13782 |
39.3 |
0.2 |
0.582 |
0 |
0 |
0 |
0.000 |
| Average: |
47.0 |
0.3 |
0.597 |
0 |
0 |
0 |
0.000 |
| 12 |
24 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13704 |
38.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13767 |
38.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.022 |
26 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
13782 |
38.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.022 |
27 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
13763 |
38.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
38.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.022 |
| 13 |
28 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[ATP]D:401 |
x,y,z |
1_555 |
5 |
1 |
612 |
34.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
6 |
1 |
611 |
34.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.022 |
30 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[ATP]C:401 |
x,y,z |
1_555 |
5 |
1 |
606 |
34.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.022 |
31 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
6 |
1 |
609 |
34.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
34.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.022 |
| 14 |
32 |
|
C |
2 |
1 |
13782 |
◊ |
D |
-x+2,y-1/2,-z-2 |
2_743 |
1 |
1 |
13763 |
1.7 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
2 |
2 |
13704 |
◊ |
A |
x-1,y,z+1 |
1_456 |
2 |
2 |
13767 |
1.6 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
| Average: |
1.7 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
|