| ## |
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 |
|
A |
167 |
44 |
11644 |
◊ |
A |
y,x,-z |
7_555 |
166 |
44 |
11644 |
1648.1 |
-21.8 |
0.101 |
18 |
4 |
0 |
1.000 |
2 |
|
B |
169 |
45 |
11957 |
◊ |
B |
y,x,-z |
7_555 |
168 |
45 |
11957 |
1640.4 |
-21.8 |
0.070 |
20 |
4 |
0 |
1.000 |
| Average: |
1644.3 |
-21.8 |
0.086 |
19 |
4 |
0 |
1.000 |
| 2 |
3 |
|
B |
178 |
47 |
11957 |
◊ |
A |
x,y,z |
1_555 |
182 |
47 |
11644 |
1641.8 |
-16.3 |
0.261 |
29 |
7 |
0 |
0.923 |
| 3 |
4 |
|
[NAI]B:302 |
43 |
1 |
838 |
f |
B |
x,y,z |
1_555 |
79 |
32 |
11957 |
566.8 |
-5.7 |
0.643 |
10 |
0 |
0 |
0.722 |
5 |
|
[NAI]A:301 |
42 |
1 |
832 |
f |
A |
x,y,z |
1_555 |
79 |
32 |
11644 |
550.4 |
-5.7 |
0.662 |
10 |
0 |
0 |
0.722 |
| Average: |
558.6 |
-5.7 |
0.653 |
10 |
0 |
0 |
0.722 |
| 4 |
6 |
|
A |
48 |
13 |
11644 |
◊ |
B |
-y-1/2,x+1/2,z-1/4 |
3_454 |
38 |
13 |
11957 |
378.0 |
-3.9 |
0.339 |
1 |
2 |
0 |
0.000 |
| 5 |
7 |
|
B |
11 |
5 |
11957 |
◊ |
A |
y,x,-z |
7_555 |
11 |
5 |
11644 |
119.6 |
-0.2 |
0.665 |
4 |
0 |
0 |
0.035 |
| 6 |
8 |
|
[EDO]B:306 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
11957 |
113.9 |
3.4 |
0.508 |
5 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]A:302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11644 |
113.1 |
3.4 |
0.520 |
6 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
11957 |
107.8 |
2.9 |
0.462 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
11644 |
102.9 |
2.6 |
0.487 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
11644 |
88.4 |
1.8 |
0.463 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]B:308 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11957 |
86.2 |
2.4 |
0.468 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:310 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11957 |
85.7 |
2.6 |
0.526 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]B:307 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11957 |
77.3 |
2.2 |
0.291 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11644 |
74.9 |
2.4 |
0.550 |
6 |
0 |
0 |
0.017 |
| 15 |
17 |
|
[EDO]B:310 |
4 |
1 |
184 |
f |
[NAI]B:302 |
x,y,z |
1_555 |
15 |
1 |
838 |
72.5 |
0.5 |
0.270 |
3 |
0 |
0 |
0.060 |
| 16 |
18 |
|
[EDO]B:311 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
11957 |
71.3 |
1.4 |
0.206 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11957 |
71.1 |
1.6 |
0.252 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11644 |
70.7 |
1.7 |
0.261 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]B:303 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11957 |
70.1 |
3.2 |
0.334 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11644 |
70.0 |
3.2 |
0.338 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]B:305 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
11957 |
67.2 |
1.5 |
0.777 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[EDO]A:307 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11957 |
65.5 |
1.6 |
0.691 |
1 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11644 |
63.9 |
1.3 |
0.670 |
1 |
0 |
0 |
0.000 |
| 24 |
26 |
|
A |
13 |
5 |
11644 |
f |
[EDO]B:311 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
1 |
185 |
63.7 |
1.0 |
0.672 |
1 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
[NAI]A:301 |
x,y,z |
1_555 |
15 |
1 |
832 |
63.2 |
0.4 |
0.272 |
1 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[EDO]A:307 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11644 |
61.7 |
1.3 |
0.792 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[EDO]B:301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
11957 |
60.6 |
1.4 |
0.759 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[EDO]B:307 |
4 |
1 |
185 |
f |
B |
y,x,-z |
7_555 |
5 |
2 |
11957 |
55.5 |
0.5 |
0.493 |
1 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]B:309 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
11957 |
47.6 |
0.2 |
0.429 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[EDO]B:305 |
3 |
1 |
182 |
◊ |
B |
y,x,-z |
7_555 |
6 |
3 |
11957 |
41.4 |
1.5 |
0.921 |
1 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[EDO]A:306 |
3 |
1 |
185 |
f |
[NAI]A:301 |
x,y,z |
1_555 |
9 |
1 |
832 |
33.7 |
0.4 |
0.804 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
A |
3 |
2 |
11644 |
f |
[EDO]B:305 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
2 |
1 |
182 |
29.4 |
0.6 |
0.459 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[EDO]B:304 |
2 |
1 |
184 |
f |
[NAI]B:302 |
x,y,z |
1_555 |
3 |
1 |
838 |
28.5 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
2 |
1 |
185 |
28.0 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[EDO]A:303 |
2 |
1 |
185 |
f |
[NAI]A:301 |
x,y,z |
1_555 |
3 |
1 |
832 |
24.8 |
0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[EDO]A:306 |
3 |
1 |
185 |
f |
[EDO]A:305 |
x,y,z |
1_555 |
3 |
1 |
185 |
18.9 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[EDO]A:304 |
2 |
1 |
185 |
f |
A |
y,x,-z |
7_555 |
2 |
1 |
11644 |
17.1 |
0.2 |
0.588 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[EDO]B:303 |
2 |
1 |
185 |
f |
B |
y,x,-z |
7_555 |
2 |
1 |
11957 |
15.6 |
0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[EDO]B:307 |
1 |
1 |
185 |
◊ |
[EDO]B:305 |
y,x,-z |
7_555 |
1 |
1 |
182 |
11.2 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
A |
1 |
1 |
11644 |
◊ |
A |
y,x,-z-1 |
7_554 |
1 |
1 |
11644 |
7.1 |
-0.2 |
0.269 |
0 |
0 |
0 |
0.000 |
|