| ## |
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 |
134 |
37 |
13107 |
◊ |
A |
x,y,z |
1_555 |
127 |
36 |
13351 |
1274.6 |
-24.6 |
0.017 |
4 |
0 |
0 |
0.219 |
| 2 |
2 |
|
B |
74 |
21 |
13107 |
◊ |
B |
y,x,-z |
7_555 |
77 |
21 |
13107 |
741.0 |
-4.4 |
0.728 |
16 |
18 |
0 |
0.133 |
| 3 |
3 |
|
A |
52 |
16 |
13351 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
56 |
16 |
13351 |
503.7 |
-6.9 |
0.243 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[ATP]B:407 |
31 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
65 |
29 |
13107 |
389.8 |
-1.8 |
0.671 |
14 |
0 |
0 |
0.150 |
5 |
|
[ATP]A:407 |
31 |
1 |
617 |
f |
A |
x,y,z |
1_555 |
63 |
28 |
13351 |
389.1 |
-1.7 |
0.661 |
13 |
0 |
0 |
0.150 |
| Average: |
389.5 |
-1.8 |
0.666 |
14 |
0 |
0 |
0.150 |
| 5 |
6 |
|
B |
36 |
11 |
13107 |
◊ |
A |
y-1,x,-z |
7_455 |
32 |
9 |
13351 |
292.9 |
1.1 |
0.885 |
6 |
7 |
0 |
0.000 |
| 6 |
7 |
|
A |
25 |
7 |
13351 |
◊ |
A |
y,x,-z |
7_555 |
25 |
7 |
13351 |
216.9 |
4.4 |
0.976 |
4 |
4 |
0 |
0.000 |
| 7 |
8 |
|
[RB]B:405 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
13107 |
105.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.165 |
9 |
|
[RB]A:405 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
13351 |
104.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.165 |
| Average: |
105.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.165 |
| 8 |
10 |
|
[RB]B:406 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
13107 |
103.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.128 |
11 |
|
[RB]A:406 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
13351 |
102.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
103.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.128 |
| 9 |
12 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
13351 |
39.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.081 |
13 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
13107 |
39.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
39.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.081 |
| 10 |
14 |
|
[ATP]B:407 |
7 |
1 |
618 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.086 |
15 |
|
[ATP]A:407 |
6 |
1 |
617 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
33.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| 11 |
16 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
13107 |
31.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.080 |
17 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
13351 |
31.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
31.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.080 |
| 12 |
18 |
|
[RB]B:406 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13351 |
30.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
19 |
|
[RB]A:406 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13107 |
30.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
30.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
| 13 |
20 |
|
[ATP]A:407 |
5 |
1 |
617 |
f |
[MG]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.061 |
21 |
|
[ATP]B:407 |
5 |
1 |
618 |
f |
[MG]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
26.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.061 |
| 14 |
22 |
|
[ATP]A:407 |
2 |
1 |
617 |
f |
[RB]A:405 |
x,y,z |
1_555 |
1 |
1 |
216 |
24.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
23 |
|
[ATP]B:407 |
2 |
1 |
618 |
f |
[RB]B:405 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
24.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
| 15 |
24 |
|
[RB]A:405 |
1 |
1 |
216 |
f |
[MG]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
| 16 |
25 |
|
[RB]B:405 |
1 |
1 |
216 |
f |
[MG]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.055 |
| 17 |
26 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 18 |
27 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.028 |
| 19 |
28 |
|
B |
1 |
1 |
13107 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
13351 |
4.4 |
-0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
|