| ## |
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 |
167 |
44 |
9301 |
◊ |
A |
x,y,z |
1_555 |
166 |
43 |
8709 |
1630.7 |
-18.1 |
0.371 |
27 |
4 |
0 |
0.853 |
| 2 |
2 |
|
A |
103 |
31 |
8709 |
◊ |
B |
-y,x,z |
3_555 |
105 |
30 |
9301 |
1048.3 |
-16.1 |
0.187 |
16 |
7 |
0 |
0.809 |
| 3 |
3 |
|
A |
65 |
18 |
8709 |
x |
A |
-y,x,z |
3_555 |
65 |
18 |
8709 |
649.3 |
-3.6 |
0.704 |
9 |
4 |
0 |
0.587 |
4 |
|
B |
65 |
17 |
9301 |
x |
B |
-y,x,z |
3_555 |
66 |
18 |
9301 |
598.2 |
-4.5 |
0.572 |
9 |
4 |
0 |
0.587 |
| Average: |
623.7 |
-4.1 |
0.638 |
9 |
4 |
0 |
0.587 |
| 4 |
5 |
|
B |
38 |
12 |
9301 |
◊ |
B |
-x,y,-z |
5_555 |
38 |
12 |
9301 |
352.7 |
2.6 |
0.883 |
8 |
0 |
0 |
0.023 |
| 5 |
6 |
|
A |
33 |
11 |
8709 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
34 |
11 |
8709 |
340.1 |
-4.3 |
0.433 |
2 |
6 |
0 |
0.079 |
| 6 |
7 |
|
B |
38 |
14 |
9301 |
◊ |
B |
-y,-x,-z |
8_555 |
39 |
14 |
9301 |
312.6 |
0.6 |
0.727 |
6 |
2 |
0 |
0.011 |
| 7 |
8 |
|
[PGF]B:204 |
12 |
1 |
430 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
9301 |
139.4 |
0.2 |
0.469 |
2 |
0 |
0 |
0.006 |
| 8 |
9 |
|
[EDO]A:201 |
4 |
1 |
184 |
◊ |
B |
-y,x,z |
3_555 |
13 |
5 |
9301 |
84.1 |
2.1 |
0.287 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[PGF]B:204 |
13 |
1 |
430 |
f |
[K]B:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
83.2 |
-44.4 |
0.000 |
0 |
0 |
0 |
0.399 |
| 10 |
11 |
|
[SO4]B:205 |
5 |
1 |
184 |
f |
[SO4]B:205 |
-x,y,-z |
5_555 |
5 |
1 |
184 |
78.2 |
-16.7 |
0.993 |
0 |
0 |
0 |
0.391 |
| 11 |
12 |
|
[EDO]B:201 |
4 |
1 |
185 |
◊ |
B |
-y,-x,-z |
8_555 |
10 |
6 |
9301 |
75.2 |
1.7 |
0.397 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[PGF]B:204 |
5 |
1 |
430 |
◊ |
B |
-y,-x,-z |
8_555 |
11 |
4 |
9301 |
73.7 |
-1.5 |
0.300 |
0 |
0 |
0 |
0.013 |
| 13 |
14 |
|
[ACT]B:200 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9301 |
73.4 |
0.7 |
0.820 |
3 |
0 |
0 |
0.044 |
| 14 |
15 |
|
[ACT]A:200 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8709 |
73.2 |
0.8 |
0.837 |
3 |
0 |
0 |
0.036 |
| 15 |
16 |
|
[EDO]A:202 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
8709 |
68.6 |
1.2 |
0.811 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
9301 |
66.9 |
1.3 |
0.797 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
B |
8 |
2 |
9301 |
◊ |
A |
-y,-x,-z |
8_555 |
8 |
3 |
8709 |
61.6 |
-0.7 |
0.557 |
1 |
0 |
0 |
0.022 |
| 18 |
19 |
|
[SO4]B:205 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9301 |
49.1 |
-5.3 |
0.939 |
2 |
0 |
0 |
0.291 |
| 19 |
20 |
|
[EDO]B:201 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
9301 |
48.8 |
0.9 |
0.862 |
4 |
0 |
0 |
0.061 |
| 20 |
21 |
|
[SO4]B:205 |
4 |
1 |
184 |
◊ |
B |
-x,y,-z |
5_555 |
5 |
2 |
9301 |
46.1 |
-5.0 |
0.910 |
3 |
0 |
0 |
0.297 |
| 21 |
22 |
|
[K]B:203 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
9301 |
45.9 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.216 |
| 22 |
23 |
|
[PGF]B:204 |
2 |
1 |
430 |
f |
[PGF]B:204 |
-y,-x,-z |
8_555 |
2 |
1 |
430 |
45.2 |
-1.3 |
0.249 |
0 |
0 |
0 |
0.006 |
| 23 |
24 |
|
A |
2 |
1 |
8709 |
f |
[SO4]A:203 |
-y,x,z |
3_555 |
4 |
1 |
185 |
43.1 |
-3.7 |
0.986 |
2 |
0 |
0 |
0.326 |
| 24 |
25 |
|
[PGF]B:204 |
5 |
1 |
430 |
f |
[K]B:203 |
-y,-x,-z |
8_555 |
1 |
1 |
216 |
40.4 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.138 |
| 25 |
26 |
|
[EDO]A:201 |
2 |
1 |
184 |
◊ |
B |
-y,-x,-z |
8_555 |
3 |
1 |
9301 |
37.0 |
1.5 |
0.966 |
1 |
0 |
0 |
0.000 |
| 26 |
27 |
|
B |
4 |
1 |
9301 |
◊ |
B |
y,x,-z |
7_555 |
4 |
1 |
9301 |
35.3 |
-0.5 |
0.460 |
0 |
0 |
0 |
0.002 |
| 27 |
28 |
|
A |
6 |
1 |
8709 |
f |
[EDO]A:202 |
-y,x,z |
3_555 |
3 |
1 |
184 |
34.5 |
0.7 |
0.734 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]B:202 |
3 |
1 |
185 |
◊ |
B |
-y,x,z |
3_555 |
4 |
1 |
9301 |
34.1 |
0.9 |
0.713 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]B:201 |
2 |
1 |
185 |
◊ |
A |
-y,-x,-z |
8_555 |
5 |
2 |
8709 |
32.1 |
0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[K]B:203 |
1 |
1 |
216 |
f |
[K]B:203 |
-y,-x,-z |
8_555 |
1 |
1 |
216 |
30.5 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.137 |
| 31 |
32 |
|
[EDO]A:201 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8709 |
28.2 |
0.5 |
0.447 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8709 |
28.1 |
-2.3 |
0.985 |
1 |
0 |
0 |
0.194 |
| 33 |
34 |
|
[K]B:203 |
1 |
1 |
216 |
◊ |
B |
-y,-x,-z |
8_555 |
5 |
3 |
9301 |
21.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.085 |
| 34 |
35 |
|
[EDO]B:201 |
3 |
1 |
185 |
◊ |
B |
-x,y,-z |
5_555 |
1 |
1 |
9301 |
17.9 |
0.6 |
0.960 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[ACT]A:200 |
1 |
1 |
183 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
3 |
1 |
8709 |
17.2 |
0.4 |
0.902 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[PGF]B:204 |
2 |
1 |
430 |
◊ |
B |
-y,x,z |
3_555 |
1 |
1 |
9301 |
15.6 |
1.1 |
0.784 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[SO4]A:203 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9301 |
9.5 |
-1.2 |
0.739 |
0 |
0 |
0 |
0.039 |
| 38 |
39 |
|
[EDO]B:202 |
1 |
1 |
185 |
f |
B |
-y,-x,-z |
8_555 |
1 |
1 |
9301 |
3.1 |
0.1 |
0.861 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[SO4]B:205 |
1 |
1 |
184 |
◊ |
B |
-y,-x,-z |
8_555 |
1 |
1 |
9301 |
2.5 |
-0.3 |
0.855 |
0 |
0 |
0 |
0.002 |
| 40 |
41 |
|
B |
1 |
1 |
9301 |
◊ |
[SO4]B:205 |
-y,x,z |
3_555 |
1 |
1 |
184 |
0.8 |
-0.1 |
0.836 |
0 |
0 |
0 |
0.000 |
|