## |
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 |
508 |
123 |
18431 |
◊ |
A |
x,y,z |
1_555 |
495 |
122 |
18344 |
4758.7 |
-82.9 |
0.001 |
56 |
2 |
0 |
0.652 |
2 |
2 |
|
B |
52 |
18 |
18431 |
◊ |
A |
x-1,y,z |
1_455 |
51 |
17 |
18344 |
450.2 |
0.2 |
0.856 |
4 |
2 |
0 |
0.000 |
3 |
3 |
|
[41O]B:502 |
25 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
55 |
15 |
18431 |
354.7 |
-6.7 |
0.373 |
0 |
0 |
0 |
0.079 |
4 |
|
[41O]A:502 |
25 |
1 |
551 |
f |
A |
x,y,z |
1_555 |
56 |
15 |
18344 |
354.4 |
-6.4 |
0.392 |
0 |
0 |
0 |
0.079 |
Average: |
354.5 |
-6.6 |
0.383 |
0 |
0 |
0 |
0.079 |
4 |
5 |
|
B |
41 |
12 |
18431 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
41 |
12 |
18344 |
348.9 |
-0.9 |
0.675 |
2 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
27 |
8 |
18431 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
12 |
18344 |
254.0 |
2.8 |
0.911 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[PLP]B:501 |
15 |
1 |
384 |
f |
B |
x,y,z |
1_555 |
38 |
16 |
18431 |
232.7 |
2.0 |
0.713 |
4 |
0 |
0 |
0.000 |
8 |
|
[PLP]A:501 |
15 |
1 |
383 |
cf |
A |
x,y,z |
1_555 |
37 |
17 |
18344 |
231.2 |
2.0 |
0.710 |
4 |
0 |
0 |
0.000 |
Average: |
231.9 |
2.0 |
0.711 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
19 |
6 |
18344 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
27 |
7 |
18344 |
220.5 |
2.0 |
0.859 |
3 |
2 |
0 |
0.000 |
8 |
10 |
|
B |
18 |
7 |
18431 |
x |
B |
x-1,y,z |
1_455 |
14 |
6 |
18431 |
136.1 |
-0.7 |
0.543 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[41O]A:502 |
9 |
1 |
551 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
18431 |
118.5 |
-4.0 |
0.421 |
2 |
0 |
0 |
0.059 |
12 |
|
[41O]B:502 |
9 |
1 |
552 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
18344 |
117.1 |
-4.0 |
0.422 |
2 |
0 |
0 |
0.059 |
Average: |
117.8 |
-4.0 |
0.422 |
2 |
0 |
0 |
0.059 |
10 |
13 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
18431 |
110.7 |
-18.1 |
0.724 |
3 |
0 |
0 |
0.117 |
11 |
14 |
|
B |
10 |
2 |
18431 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
14 |
6 |
18344 |
102.8 |
0.7 |
0.694 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
18344 |
87.7 |
2.0 |
0.282 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
6 |
18344 |
66.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.067 |
14 |
17 |
|
[PLP]B:501 |
6 |
1 |
384 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
18344 |
61.5 |
-2.0 |
0.403 |
2 |
0 |
0 |
0.035 |
18 |
|
[PLP]A:501 |
6 |
1 |
383 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
18431 |
60.8 |
-2.1 |
0.417 |
2 |
0 |
0 |
0.035 |
Average: |
61.2 |
-2.1 |
0.410 |
2 |
0 |
0 |
0.035 |
15 |
19 |
|
A |
3 |
2 |
18344 |
x |
A |
x-1,y,z |
1_455 |
7 |
3 |
18344 |
41.8 |
0.7 |
0.859 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[CL]B:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
18431 |
21.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
B |
3 |
2 |
18431 |
◊ |
A |
x-1/2,-y-3/2,-z |
4_435 |
3 |
1 |
18344 |
17.5 |
0.3 |
0.773 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[41O]A:502 |
1 |
1 |
551 |
f |
[PLP]A:501 |
x,y,z |
1_555 |
1 |
1 |
383 |
3.1 |
-0.2 |
0.386 |
0 |
0 |
0 |
0.002 |
23 |
|
[41O]B:502 |
1 |
1 |
552 |
f |
[PLP]B:501 |
x,y,z |
1_555 |
1 |
1 |
384 |
2.7 |
-0.2 |
0.386 |
0 |
0 |
0 |
0.002 |
Average: |
2.9 |
-0.2 |
0.386 |
0 |
0 |
0 |
0.002 |
|