## |
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 |
|
[MH0]A:201 |
43 |
1 |
811 |
f |
A |
x,y,z |
1_555 |
71 |
22 |
7571 |
578.5 |
-19.0 |
0.282 |
1 |
0 |
0 |
0.069 |
2 |
|
[MH0]B:201 |
43 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
71 |
22 |
7423 |
573.7 |
-18.7 |
0.327 |
1 |
0 |
0 |
0.069 |
Average: |
576.1 |
-18.8 |
0.305 |
1 |
0 |
0 |
0.069 |
2 |
3 |
|
B |
50 |
15 |
7423 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
7571 |
442.4 |
0.9 |
0.709 |
2 |
3 |
0 |
0.000 |
3 |
4 |
|
B |
33 |
9 |
7423 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
44 |
15 |
7571 |
308.3 |
-2.5 |
0.386 |
2 |
0 |
0 |
0.000 |
5 |
|
B |
41 |
14 |
7423 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
32 |
9 |
7571 |
304.2 |
-2.5 |
0.382 |
2 |
0 |
0 |
0.000 |
Average: |
306.2 |
-2.5 |
0.384 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
26 |
7 |
7571 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
25 |
7 |
7423 |
240.7 |
-2.1 |
0.354 |
5 |
6 |
0 |
0.000 |
5 |
7 |
|
A |
22 |
8 |
7571 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
8 |
7423 |
211.8 |
-2.2 |
0.281 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
18 |
9 |
7571 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
19 |
7 |
7423 |
181.3 |
-1.1 |
0.430 |
2 |
0 |
0 |
0.000 |
Average: |
196.6 |
-1.7 |
0.356 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
22 |
6 |
7571 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
20 |
5 |
7571 |
199.7 |
-1.4 |
0.414 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
21 |
5 |
7423 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
5 |
7423 |
156.8 |
-1.2 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
178.3 |
-1.3 |
0.423 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[NPO]A:202 |
10 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
7571 |
147.6 |
2.6 |
0.226 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
[NPO]B:202 |
10 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
7423 |
144.1 |
2.6 |
0.217 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
14 |
5 |
7423 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
4 |
7423 |
128.4 |
0.4 |
0.420 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
15 |
4 |
7571 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
15 |
5 |
7571 |
127.4 |
1.4 |
0.748 |
0 |
0 |
0 |
0.000 |
Average: |
127.9 |
0.9 |
0.584 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]A:203 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
7571 |
108.7 |
3.6 |
0.476 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]B:203 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
7423 |
105.3 |
3.3 |
0.461 |
4 |
0 |
0 |
0.000 |
12 |
17 |
|
A |
12 |
4 |
7571 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
7423 |
102.1 |
1.3 |
0.792 |
1 |
6 |
0 |
0.000 |
13 |
18 |
|
[NPO]B:202 |
8 |
1 |
275 |
f |
[MH0]B:201 |
x,y,z |
1_555 |
25 |
1 |
818 |
86.4 |
0.0 |
0.137 |
1 |
0 |
0 |
0.001 |
19 |
|
[NPO]A:202 |
7 |
1 |
272 |
f |
[MH0]A:201 |
x,y,z |
1_555 |
24 |
1 |
811 |
83.3 |
0.1 |
0.214 |
1 |
0 |
0 |
0.001 |
Average: |
84.8 |
0.1 |
0.175 |
1 |
0 |
0 |
0.001 |
14 |
20 |
|
B |
11 |
6 |
7423 |
f |
[SO4]A:205 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
184 |
72.2 |
-11.1 |
0.605 |
2 |
0 |
0 |
0.043 |
15 |
21 |
|
[SO4]A:205 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
7571 |
69.3 |
-9.7 |
0.760 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[SO4]A:204 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7571 |
69.2 |
-10.4 |
0.646 |
2 |
0 |
0 |
0.040 |
17 |
23 |
|
B |
12 |
5 |
7423 |
◊ |
[SO4]A:204 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
183 |
69.2 |
-9.8 |
0.735 |
2 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]B:203 |
2 |
1 |
183 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
7571 |
31.1 |
0.9 |
0.766 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
B |
4 |
2 |
7423 |
f |
[EDO]A:203 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
182 |
29.2 |
0.9 |
0.741 |
0 |
0 |
0 |
0.000 |
|