| ## |
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 |
164 |
43 |
8667 |
◊ |
A |
x,y,z |
1_555 |
164 |
41 |
8499 |
1575.9 |
-18.5 |
0.414 |
24 |
1 |
0 |
1.000 |
| 2 |
2 |
|
A |
99 |
31 |
8499 |
◊ |
B |
-y,x,z |
3_555 |
94 |
30 |
8667 |
988.0 |
-16.9 |
0.136 |
14 |
8 |
0 |
1.000 |
| 3 |
3 |
|
B |
59 |
16 |
8667 |
x |
B |
-y,x,z |
3_555 |
64 |
17 |
8667 |
609.0 |
-4.6 |
0.610 |
9 |
4 |
0 |
0.327 |
4 |
|
A |
64 |
17 |
8499 |
x |
A |
-y,x,z |
3_555 |
59 |
16 |
8499 |
603.0 |
-3.6 |
0.689 |
10 |
4 |
0 |
0.327 |
| Average: |
606.0 |
-4.1 |
0.649 |
10 |
4 |
0 |
0.327 |
| 4 |
5 |
|
A |
36 |
11 |
8499 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
35 |
11 |
8499 |
377.6 |
-4.6 |
0.441 |
2 |
6 |
0 |
0.000 |
| 5 |
6 |
|
B |
14 |
6 |
8667 |
◊ |
B |
-y,-x,-z |
8_555 |
14 |
6 |
8667 |
148.6 |
-4.3 |
0.103 |
0 |
0 |
0 |
0.076 |
| 6 |
7 |
|
B |
9 |
3 |
8667 |
◊ |
B |
-x,y,-z |
5_555 |
9 |
3 |
8667 |
105.8 |
-2.6 |
0.158 |
0 |
0 |
0 |
0.065 |
| 7 |
8 |
|
[EDO]A:202 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
8499 |
92.0 |
2.5 |
0.308 |
4 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:203 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8499 |
86.1 |
3.0 |
0.560 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:205 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8499 |
74.2 |
1.9 |
0.859 |
4 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[ACT]B:201 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8667 |
73.4 |
0.7 |
0.832 |
3 |
0 |
0 |
0.046 |
| 11 |
12 |
|
[ACT]A:201 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8499 |
73.4 |
0.8 |
0.840 |
3 |
0 |
0 |
0.035 |
| 12 |
13 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
[SO4]B:203 |
-x,y,-z |
5_555 |
5 |
1 |
186 |
70.4 |
-15.4 |
0.993 |
0 |
0 |
0 |
0.383 |
| 13 |
14 |
|
[EDO]A:207 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8667 |
67.9 |
1.3 |
0.837 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]B:202 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
8667 |
66.8 |
1.4 |
0.807 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:206 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
8499 |
66.7 |
2.1 |
0.295 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]A:207 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
8499 |
61.8 |
1.4 |
0.873 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]A:208 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8667 |
55.6 |
1.0 |
0.765 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[SO4]B:203 |
5 |
1 |
186 |
◊ |
B |
-x,y,-z |
5_555 |
5 |
3 |
8667 |
52.2 |
-5.8 |
0.921 |
2 |
0 |
0 |
0.333 |
| 19 |
20 |
|
[EDO]A:204 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8499 |
48.5 |
0.7 |
0.533 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[SO4]B:203 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8667 |
48.5 |
-5.0 |
0.966 |
2 |
0 |
0 |
0.294 |
| 21 |
22 |
|
[EDO]A:206 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8667 |
47.4 |
1.2 |
0.265 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[EDO]A:204 |
4 |
1 |
185 |
◊ |
B |
-y,x,z |
3_555 |
7 |
3 |
8667 |
46.2 |
0.6 |
0.543 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]A:206 |
3 |
1 |
183 |
f |
B |
-y,x,z |
3_555 |
8 |
6 |
8667 |
39.5 |
0.7 |
0.771 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]A:203 |
3 |
1 |
183 |
◊ |
B |
-y,x,z |
3_555 |
5 |
3 |
8667 |
35.5 |
0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
B |
4 |
1 |
8667 |
◊ |
B |
y,x,-z |
7_555 |
4 |
1 |
8667 |
34.5 |
-0.4 |
0.508 |
0 |
0 |
0 |
0.008 |
| 26 |
27 |
|
[EDO]B:202 |
4 |
1 |
182 |
f |
B |
-y,x,z |
3_555 |
5 |
1 |
8667 |
34.0 |
0.8 |
0.741 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]A:203 |
4 |
1 |
183 |
◊ |
[EDO]A:202 |
x,y,z |
1_555 |
3 |
1 |
181 |
33.8 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:208 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
8499 |
27.2 |
0.5 |
0.853 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]A:202 |
2 |
1 |
181 |
f |
B |
-y,x,z |
3_555 |
2 |
1 |
8667 |
24.4 |
0.4 |
0.470 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[EDO]A:204 |
2 |
1 |
185 |
◊ |
A |
-y,x,z |
3_555 |
1 |
1 |
8499 |
24.4 |
0.3 |
0.305 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[EDO]A:204 |
4 |
1 |
185 |
x |
[EDO]A:204 |
-y,x,z |
3_555 |
3 |
1 |
185 |
23.1 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]A:204 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
8667 |
23.0 |
0.2 |
0.531 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[ACT]A:201 |
1 |
1 |
181 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
3 |
1 |
8499 |
16.0 |
0.3 |
0.882 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[EDO]A:205 |
2 |
1 |
183 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
3 |
1 |
8499 |
14.9 |
0.5 |
0.897 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[EDO]A:208 |
1 |
1 |
185 |
f |
[EDO]A:207 |
x,y,z |
1_555 |
2 |
1 |
184 |
6.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
|