| ## |
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 |
192 |
50 |
14622 |
◊ |
A |
x,y,z |
1_555 |
190 |
48 |
14558 |
1816.6 |
-17.3 |
0.289 |
12 |
12 |
0 |
0.105 |
| 2 |
2 |
|
[NAD]B:401 |
41 |
1 |
842 |
f |
B |
x,y,z |
1_555 |
80 |
23 |
14622 |
559.0 |
-9.3 |
0.363 |
6 |
0 |
0 |
0.097 |
3 |
|
[NAD]A:401 |
40 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
78 |
22 |
14558 |
548.4 |
-8.9 |
0.364 |
4 |
0 |
0 |
0.097 |
| Average: |
553.7 |
-9.1 |
0.363 |
5 |
0 |
0 |
0.097 |
| 3 |
4 |
|
A |
53 |
16 |
14558 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
52 |
19 |
14622 |
450.5 |
-2.6 |
0.589 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
26 |
12 |
14558 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
11 |
14622 |
241.1 |
-0.8 |
0.656 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
19 |
9 |
14622 |
x |
B |
-x,y-1/2,-z-2 |
2_543 |
23 |
8 |
14622 |
202.9 |
-0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
19 |
6 |
14622 |
x |
B |
x-1,y,z |
1_455 |
19 |
7 |
14622 |
192.7 |
-2.1 |
0.298 |
0 |
2 |
0 |
0.000 |
8 |
|
A |
13 |
6 |
14558 |
x |
A |
x-1,y,z |
1_455 |
14 |
4 |
14558 |
117.7 |
-1.2 |
0.337 |
0 |
1 |
0 |
0.000 |
| Average: |
155.2 |
-1.6 |
0.318 |
0 |
2 |
0 |
0.000 |
| 7 |
9 |
|
A |
18 |
8 |
14558 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
20 |
7 |
14558 |
140.4 |
-1.2 |
0.518 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[K]B:404 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
14622 |
114.7 |
-91.0 |
0.000 |
0 |
0 |
0 |
0.778 |
11 |
|
[K]A:406 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
14558 |
112.7 |
-89.7 |
0.000 |
0 |
0 |
0 |
0.778 |
| Average: |
113.7 |
-90.3 |
0.000 |
0 |
0 |
0 |
0.778 |
| 9 |
12 |
|
[PO4]A:402 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14558 |
114.3 |
-7.6 |
0.725 |
0 |
0 |
0 |
0.033 |
| 10 |
13 |
|
[EDO]B:403 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14622 |
113.0 |
3.5 |
0.450 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[PO4]B:402 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14622 |
112.7 |
-7.7 |
0.727 |
0 |
0 |
0 |
0.033 |
| 12 |
15 |
|
[EDO]A:403 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
14558 |
112.6 |
3.3 |
0.437 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]A:405 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
14558 |
101.7 |
3.4 |
0.510 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
B |
12 |
4 |
14622 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
7 |
14558 |
101.2 |
0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14558 |
82.1 |
2.6 |
0.298 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]A:404 |
3 |
1 |
183 |
f |
A |
-x,y-1/2,-z-1 |
2_544 |
9 |
3 |
14558 |
39.2 |
1.0 |
0.849 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
B |
7 |
4 |
14622 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
8 |
2 |
14558 |
38.5 |
0.0 |
0.660 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[K]A:406 |
1 |
1 |
216 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
14558 |
32.1 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
3 |
1 |
14622 |
◊ |
[K]B:404 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
22.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
27.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]A:405 |
1 |
1 |
181 |
f |
[NAD]A:401 |
x,y,z |
1_555 |
3 |
1 |
840 |
21.2 |
-0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]A:405 |
2 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14622 |
19.3 |
0.9 |
0.911 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[K]A:406 |
1 |
1 |
216 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
14622 |
4.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
1 |
1 |
14558 |
◊ |
[K]B:404 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
3.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
4.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
|