| ## |
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 |
249 |
63 |
14484 |
◊ |
A |
x,y,z |
1_555 |
250 |
67 |
14799 |
2473.7 |
-32.4 |
0.044 |
12 |
7 |
0 |
0.401 |
| 2 |
2 |
|
A |
108 |
26 |
14799 |
◊ |
A |
y,x,-z |
7_555 |
109 |
26 |
14799 |
928.0 |
-11.3 |
0.280 |
4 |
2 |
0 |
0.015 |
| 3 |
3 |
|
A |
48 |
14 |
14799 |
◊ |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
50 |
14 |
14484 |
451.4 |
-3.2 |
0.511 |
7 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[ATP]A:401 |
31 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
14799 |
407.9 |
-2.1 |
0.575 |
10 |
0 |
0 |
0.125 |
5 |
|
[ATP]B:401 |
30 |
1 |
575 |
f |
B |
x,y,z |
1_555 |
55 |
20 |
14484 |
382.3 |
-2.3 |
0.473 |
6 |
0 |
0 |
0.125 |
| Average: |
395.1 |
-2.2 |
0.524 |
8 |
0 |
0 |
0.125 |
| 5 |
6 |
|
[IMP]A:403 |
23 |
1 |
477 |
f |
A |
x,y,z |
1_555 |
57 |
25 |
14799 |
344.3 |
-4.0 |
0.503 |
6 |
0 |
0 |
0.068 |
| 6 |
7 |
|
B |
42 |
11 |
14484 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
42 |
11 |
14799 |
333.7 |
-1.8 |
0.614 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[IMP]B:403 |
22 |
1 |
460 |
f |
B |
x,y,z |
1_555 |
55 |
25 |
14484 |
328.5 |
-1.7 |
0.621 |
8 |
0 |
0 |
0.133 |
| 8 |
9 |
|
B |
26 |
10 |
14484 |
◊ |
B |
y-1,x+1,-z |
7_465 |
25 |
10 |
14484 |
262.2 |
3.1 |
0.944 |
4 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
19 |
7 |
14799 |
◊ |
B |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
25 |
7 |
14484 |
173.2 |
-2.3 |
0.265 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
16 |
4 |
14484 |
x |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
12 |
4 |
14484 |
122.1 |
-4.1 |
0.059 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
10 |
3 |
14799 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
14 |
3 |
14799 |
116.2 |
-4.2 |
0.047 |
0 |
0 |
0 |
0.000 |
| Average: |
119.2 |
-4.2 |
0.053 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
14799 |
93.9 |
-10.6 |
0.956 |
5 |
0 |
0 |
0.133 |
| 12 |
14 |
|
[SO4]B:404 |
5 |
1 |
184 |
f |
[SO4]B:404 |
y-1,x+1,-z |
7_465 |
5 |
1 |
184 |
56.4 |
-12.1 |
0.993 |
0 |
0 |
0 |
0.152 |
| 13 |
15 |
|
[SO4]B:404 |
5 |
1 |
184 |
◊ |
B |
y-1,x+1,-z |
7_465 |
11 |
4 |
14484 |
56.1 |
-7.2 |
0.878 |
1 |
0 |
0 |
0.193 |
| 14 |
16 |
|
[SO4]B:404 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
14484 |
55.7 |
-6.7 |
0.894 |
0 |
0 |
0 |
0.168 |
| 15 |
17 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14799 |
47.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.142 |
18 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14484 |
43.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
45.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.142 |
| 16 |
19 |
|
[IMP]A:403 |
4 |
1 |
477 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14484 |
36.5 |
-0.1 |
0.609 |
1 |
0 |
0 |
0.006 |
| 17 |
20 |
|
[IMP]B:403 |
5 |
1 |
460 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14799 |
36.3 |
0.1 |
0.644 |
2 |
0 |
0 |
0.008 |
| 18 |
21 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
4 |
1 |
589 |
30.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.082 |
22 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
3 |
1 |
575 |
28.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
29.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.082 |
| 19 |
23 |
|
[ATP]A:401 |
1 |
1 |
589 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
14799 |
13.3 |
-0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[IMP]A:403 |
3 |
1 |
477 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
|
[IMP]B:403 |
3 |
1 |
460 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
12.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 21 |
26 |
|
[IMP]A:403 |
2 |
1 |
477 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
2 |
1 |
589 |
8.6 |
0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
27 |
|
[IMP]B:403 |
1 |
1 |
460 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
1 |
1 |
575 |
1.1 |
0.0 |
0.405 |
0 |
0 |
0 |
0.000 |
| Average: |
4.8 |
0.1 |
0.428 |
0 |
0 |
0 |
0.000 |
|