## |
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 |
292 |
70 |
16464 |
◊ |
B |
-x,-y,z |
2_555 |
289 |
70 |
16464 |
2726.9 |
-26.2 |
0.229 |
16 |
8 |
0 |
1.000 |
2 |
|
A |
290 |
67 |
16394 |
◊ |
A |
-x,-y,z |
2_555 |
289 |
67 |
16394 |
2725.9 |
-25.9 |
0.227 |
18 |
4 |
0 |
1.000 |
Average: |
2726.4 |
-26.0 |
0.228 |
17 |
6 |
0 |
1.000 |
2 |
3 |
|
B |
277 |
65 |
16464 |
◊ |
A |
x,y,z |
1_555 |
283 |
65 |
16394 |
2494.2 |
-26.4 |
0.164 |
28 |
3 |
0 |
0.475 |
3 |
4 |
|
B |
53 |
17 |
16464 |
◊ |
B |
-x+1,-y,z |
2_655 |
53 |
17 |
16464 |
417.0 |
1.2 |
0.847 |
2 |
4 |
0 |
0.000 |
4 |
5 |
|
B |
43 |
13 |
16464 |
◊ |
B |
-x,y,-z+1 |
3_556 |
44 |
13 |
16464 |
398.9 |
-1.6 |
0.638 |
0 |
0 |
0 |
0.007 |
5 |
6 |
|
B |
46 |
12 |
16464 |
◊ |
B |
x,-y,-z+1 |
4_556 |
46 |
12 |
16464 |
350.9 |
-3.1 |
0.472 |
4 |
0 |
0 |
0.030 |
6 |
7 |
|
B |
25 |
8 |
16464 |
◊ |
A |
-x,-y,z |
2_555 |
25 |
8 |
16394 |
262.7 |
-0.8 |
0.616 |
2 |
4 |
0 |
0.017 |
7 |
8 |
|
A |
28 |
11 |
16394 |
◊ |
A |
-x,y,-z |
3_555 |
28 |
11 |
16394 |
229.0 |
1.8 |
0.859 |
5 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:407 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
16464 |
126.6 |
2.8 |
0.539 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[AZA]A:401 |
11 |
1 |
271 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
16394 |
126.1 |
2.2 |
0.385 |
3 |
0 |
0 |
0.000 |
11 |
|
[AZA]B:401 |
11 |
1 |
271 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
16464 |
125.4 |
2.2 |
0.351 |
3 |
0 |
0 |
0.000 |
Average: |
125.8 |
2.2 |
0.368 |
3 |
0 |
0 |
0.000 |
10 |
12 |
|
A |
14 |
3 |
16394 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
17 |
4 |
16464 |
118.5 |
-1.1 |
0.482 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]A:405 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
16394 |
115.8 |
4.0 |
0.715 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]B:406 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
16464 |
113.3 |
3.4 |
0.493 |
2 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:404 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
16394 |
111.0 |
3.4 |
0.490 |
2 |
0 |
0 |
0.000 |
Average: |
112.1 |
3.4 |
0.491 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
13 |
5 |
16464 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
12 |
3 |
16394 |
112.0 |
-2.0 |
0.264 |
0 |
1 |
0 |
0.000 |
14 |
17 |
|
[EDO]B:404 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
16464 |
108.1 |
3.7 |
0.729 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]B:405 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
16464 |
101.0 |
3.1 |
0.518 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[K]B:403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
16464 |
84.8 |
-55.4 |
0.000 |
0 |
0 |
0 |
0.715 |
17 |
20 |
|
A |
16 |
7 |
16394 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
9 |
4 |
16394 |
80.7 |
1.3 |
0.800 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
A |
5 |
2 |
16394 |
◊ |
A |
x,-y,-z |
4_555 |
5 |
2 |
16394 |
69.7 |
2.8 |
0.968 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[AZA]B:401 |
7 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16394 |
68.5 |
0.5 |
0.161 |
1 |
0 |
0 |
0.000 |
23 |
|
[AZA]A:401 |
7 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16464 |
68.3 |
0.4 |
0.158 |
1 |
0 |
0 |
0.000 |
Average: |
68.4 |
0.5 |
0.159 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
B |
9 |
5 |
16464 |
◊ |
A |
-x+1,-y,z |
2_655 |
11 |
5 |
16394 |
62.5 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[K]B:403 |
1 |
1 |
216 |
◊ |
B |
x,-y,-z+1 |
4_556 |
11 |
5 |
16464 |
59.4 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.388 |
22 |
26 |
|
[K]B:403 |
1 |
1 |
216 |
◊ |
B |
-x,-y,z |
2_555 |
4 |
1 |
16464 |
52.8 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.254 |
23 |
27 |
|
[OXY]A:402 |
2 |
1 |
118 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
16394 |
43.0 |
0.7 |
0.834 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[OXY]B:402 |
2 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
16464 |
43.0 |
0.7 |
0.832 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[SO4]A:403 |
4 |
1 |
185 |
◊ |
B |
-x,-y,z |
2_555 |
2 |
1 |
16464 |
42.4 |
-3.4 |
0.988 |
0 |
0 |
0 |
0.025 |
26 |
30 |
|
[SO4]A:403 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
16394 |
41.1 |
-3.5 |
0.977 |
2 |
0 |
0 |
0.274 |
27 |
31 |
|
[OXY]A:402 |
2 |
1 |
118 |
f |
[AZA]A:401 |
x,y,z |
1_555 |
9 |
1 |
271 |
29.8 |
0.9 |
0.022 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[OXY]B:402 |
2 |
1 |
117 |
◊ |
[AZA]B:401 |
x,y,z |
1_555 |
10 |
1 |
271 |
29.7 |
0.9 |
0.013 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[EDO]B:405 |
2 |
1 |
183 |
f |
[EDO]B:404 |
x,y,z |
1_555 |
2 |
1 |
183 |
27.7 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[OXY]B:402 |
2 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
16394 |
23.5 |
0.4 |
0.831 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[OXY]A:402 |
2 |
1 |
118 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16464 |
23.3 |
0.4 |
0.833 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]B:405 |
3 |
1 |
183 |
f |
B |
-x,-y,z |
2_555 |
3 |
2 |
16464 |
20.2 |
1.2 |
0.969 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[SO4]A:403 |
1 |
1 |
185 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
16394 |
6.9 |
-0.7 |
0.806 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]B:407 |
1 |
1 |
184 |
f |
[EDO]B:404 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.8 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|