| ## |
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 |
157 |
41 |
8631 |
◊ |
A |
x,y,z |
1_555 |
169 |
43 |
8585 |
1591.7 |
-16.6 |
0.474 |
24 |
3 |
0 |
1.000 |
| 2 |
2 |
|
A |
103 |
31 |
8585 |
◊ |
B |
-y,x,z |
3_555 |
102 |
30 |
8631 |
1007.7 |
-15.6 |
0.200 |
14 |
6 |
0 |
0.930 |
| 3 |
3 |
|
B |
60 |
17 |
8631 |
x |
B |
-y,x,z |
3_555 |
63 |
16 |
8631 |
610.1 |
-4.5 |
0.617 |
9 |
3 |
0 |
0.364 |
4 |
|
A |
67 |
19 |
8585 |
x |
A |
-y,x,z |
3_555 |
60 |
17 |
8585 |
609.6 |
-4.1 |
0.661 |
10 |
3 |
0 |
0.364 |
| Average: |
609.9 |
-4.3 |
0.639 |
10 |
3 |
0 |
0.364 |
| 4 |
5 |
|
A |
35 |
11 |
8585 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
36 |
11 |
8585 |
355.6 |
-4.4 |
0.441 |
2 |
6 |
0 |
0.098 |
| 5 |
6 |
|
[RP5]A:204 |
14 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
8585 |
181.7 |
1.1 |
0.436 |
5 |
0 |
0 |
0.045 |
| 6 |
7 |
|
B |
15 |
6 |
8631 |
◊ |
B |
-y,-x,-z |
8_555 |
15 |
6 |
8631 |
135.5 |
-3.4 |
0.130 |
0 |
0 |
0 |
0.069 |
| 7 |
8 |
|
[PG0]B:203 |
7 |
1 |
293 |
f |
B |
-y,-x,-z |
8_555 |
15 |
7 |
8631 |
102.1 |
2.7 |
0.171 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
9 |
3 |
8631 |
◊ |
B |
-x,y,-z |
5_555 |
9 |
3 |
8631 |
95.5 |
-2.3 |
0.154 |
0 |
0 |
0 |
0.056 |
| 9 |
10 |
|
[EDO]B:202 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8631 |
90.4 |
2.3 |
0.305 |
5 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[PG0]B:203 |
5 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
8631 |
81.6 |
3.0 |
0.330 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[BCT]B:201 |
4 |
1 |
164 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8631 |
80.1 |
0.9 |
0.675 |
5 |
0 |
0 |
0.067 |
| 12 |
13 |
|
[BCT]A:201 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8585 |
76.8 |
0.9 |
0.680 |
5 |
0 |
0 |
0.053 |
| 13 |
14 |
|
[ACT]A:200 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8585 |
74.8 |
0.7 |
0.835 |
3 |
0 |
0 |
0.025 |
| 14 |
15 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
[SO4]B:204 |
-x,y,-z |
5_555 |
5 |
1 |
185 |
74.7 |
-16.6 |
0.993 |
0 |
0 |
0 |
0.405 |
| 15 |
16 |
|
[ACT]B:200 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8631 |
73.0 |
0.8 |
0.835 |
3 |
0 |
0 |
0.028 |
| 16 |
17 |
|
[EDO]A:203 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8585 |
71.9 |
1.5 |
0.851 |
6 |
0 |
0 |
0.048 |
| 17 |
18 |
|
[PG0]B:203 |
2 |
1 |
293 |
◊ |
[PG0]B:203 |
-y,-x,-z |
8_555 |
2 |
1 |
293 |
51.8 |
3.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]A:202 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8585 |
50.2 |
0.8 |
0.518 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[SO4]B:204 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8631 |
50.1 |
-5.5 |
0.937 |
2 |
0 |
0 |
0.314 |
| 20 |
21 |
|
[SO4]B:204 |
4 |
1 |
185 |
◊ |
B |
-x,y,-z |
5_555 |
4 |
2 |
8631 |
49.1 |
-5.2 |
0.953 |
2 |
0 |
0 |
0.296 |
| 21 |
22 |
|
[EDO]A:202 |
4 |
1 |
185 |
◊ |
B |
-y,x,z |
3_555 |
7 |
3 |
8631 |
46.2 |
0.6 |
0.538 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[RP5]A:204 |
7 |
1 |
353 |
◊ |
B |
-y,x,z |
3_555 |
7 |
2 |
8631 |
40.0 |
0.3 |
0.402 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[RP5]A:204 |
7 |
1 |
353 |
f |
[BCT]A:201 |
x,y,z |
1_555 |
3 |
1 |
163 |
36.2 |
0.8 |
0.238 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
B |
4 |
1 |
8631 |
◊ |
B |
y,x,-z |
7_555 |
4 |
1 |
8631 |
34.1 |
-0.5 |
0.497 |
0 |
0 |
0 |
0.010 |
| 25 |
26 |
|
[EDO]B:202 |
2 |
1 |
184 |
f |
[BCT]B:201 |
x,y,z |
1_555 |
3 |
1 |
164 |
29.0 |
1.1 |
0.395 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[BCT]A:201 |
4 |
1 |
163 |
◊ |
B |
-y,x,z |
3_555 |
4 |
2 |
8631 |
28.5 |
-0.3 |
0.313 |
0 |
0 |
0 |
0.014 |
| 27 |
28 |
|
A |
2 |
1 |
8585 |
◊ |
[EDO]B:202 |
-y,x,z |
3_555 |
2 |
1 |
184 |
24.2 |
0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:202 |
3 |
1 |
185 |
fx |
[EDO]A:202 |
-y,x,z |
3_555 |
3 |
1 |
185 |
24.1 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]A:202 |
2 |
1 |
185 |
◊ |
A |
-y,x,z |
3_555 |
1 |
1 |
8585 |
23.1 |
0.1 |
0.332 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[EDO]A:202 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8631 |
22.8 |
0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
A |
4 |
2 |
8585 |
◊ |
[BCT]B:201 |
-y,x,z |
3_555 |
3 |
1 |
164 |
21.5 |
-0.2 |
0.252 |
0 |
0 |
0 |
0.006 |
| 32 |
33 |
|
[EDO]A:203 |
2 |
1 |
185 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
3 |
1 |
8585 |
18.6 |
0.8 |
0.904 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[ACT]A:200 |
1 |
1 |
181 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
3 |
1 |
8585 |
15.3 |
0.4 |
0.897 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[RP5]A:204 |
1 |
1 |
353 |
◊ |
A |
-y,x,z |
3_555 |
1 |
1 |
8585 |
3.6 |
0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[EDO]A:202 |
1 |
1 |
185 |
f |
[EDO]A:202 |
-x,-y,z |
2_555 |
1 |
1 |
185 |
0.6 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|