| ## |
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 |
|
C |
62 |
18 |
11519 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
11323 |
552.0 |
-7.5 |
0.138 |
3 |
0 |
0 |
0.000 |
2 |
|
A |
57 |
17 |
11425 |
◊ |
A |
y,x,-z+1 |
4_556 |
57 |
17 |
11425 |
524.0 |
-8.2 |
0.079 |
0 |
0 |
0 |
0.000 |
| Average: |
538.0 |
-7.8 |
0.109 |
2 |
0 |
0 |
0.000 |
| 2 |
3 |
|
C |
55 |
13 |
11519 |
◊ |
C |
y,x,-z+1 |
4_556 |
56 |
14 |
11519 |
472.8 |
1.4 |
0.756 |
14 |
6 |
0 |
0.000 |
4 |
|
B |
55 |
14 |
11323 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
11425 |
472.8 |
1.0 |
0.759 |
11 |
4 |
0 |
0.000 |
| Average: |
472.8 |
1.2 |
0.757 |
13 |
5 |
0 |
0.000 |
| 3 |
5 |
|
C |
50 |
16 |
11519 |
◊ |
B |
y,x,-z+1 |
4_556 |
47 |
15 |
11323 |
468.4 |
-2.4 |
0.449 |
5 |
2 |
0 |
0.000 |
6 |
|
C |
48 |
14 |
11519 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
11425 |
443.0 |
-2.8 |
0.366 |
8 |
3 |
0 |
0.000 |
7 |
|
B |
44 |
16 |
11323 |
◊ |
A |
y,x,-z+1 |
4_556 |
47 |
15 |
11425 |
392.6 |
-3.2 |
0.333 |
5 |
2 |
0 |
0.000 |
| Average: |
434.7 |
-2.8 |
0.383 |
6 |
2 |
0 |
0.000 |
| 4 |
8 |
|
C |
39 |
8 |
11519 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
42 |
11 |
11323 |
330.6 |
-0.0 |
0.644 |
7 |
0 |
0 |
0.000 |
9 |
|
C |
43 |
12 |
11519 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
36 |
8 |
11425 |
316.6 |
-1.0 |
0.522 |
9 |
0 |
0 |
0.000 |
| Average: |
323.6 |
-0.5 |
0.583 |
8 |
0 |
0 |
0.000 |
| 5 |
10 |
|
[EDO]C:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
11519 |
109.5 |
4.3 |
0.580 |
5 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
10 |
3 |
11425 |
◊ |
B |
-y+2,x-y+1,z+1/3 |
2_765 |
15 |
6 |
11323 |
108.3 |
0.7 |
0.727 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11425 |
103.4 |
3.7 |
0.548 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[EDO]C:303 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
11519 |
98.8 |
2.8 |
0.474 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
11323 |
97.8 |
3.7 |
0.557 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
11425 |
95.0 |
2.7 |
0.462 |
2 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
11323 |
93.3 |
2.9 |
0.524 |
3 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11425 |
93.2 |
2.3 |
0.452 |
4 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11425 |
92.9 |
2.7 |
0.452 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[EDO]B:301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
11323 |
91.3 |
3.0 |
0.491 |
2 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[EDO]C:301 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11519 |
79.6 |
1.7 |
0.241 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
B |
11 |
2 |
11323 |
x |
A |
x-y,-y+1,-z+2/3 |
5_565 |
8 |
3 |
11425 |
79.0 |
0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
7 |
3 |
11519 |
x |
C |
-y+1,x-y,z+1/3 |
2_655 |
8 |
2 |
11519 |
60.8 |
-0.3 |
0.435 |
0 |
0 |
0 |
0.000 |
| Average: |
69.9 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[EDO]A:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11323 |
45.1 |
0.8 |
0.699 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
11425 |
42.2 |
0.6 |
0.633 |
1 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
11519 |
36.7 |
-0.1 |
0.097 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[EDO]C:303 |
4 |
1 |
182 |
f |
C |
y,x,-z+1 |
4_556 |
6 |
1 |
11519 |
35.7 |
0.2 |
0.585 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[EDO]C:303 |
2 |
1 |
182 |
f |
[EDO]C:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
33.4 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[EDO]A:302 |
4 |
1 |
185 |
f |
A |
y,x,-z+1 |
4_556 |
2 |
1 |
11425 |
32.5 |
0.1 |
0.126 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[EDO]A:304 |
2 |
1 |
184 |
◊ |
[EDO]A:303 |
x,y,z |
1_555 |
3 |
1 |
185 |
31.5 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
B |
6 |
3 |
11323 |
◊ |
C |
x-y,-y+1,-z+2/3 |
5_565 |
7 |
3 |
11519 |
31.2 |
0.5 |
0.743 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[EDO]B:303 |
3 |
1 |
185 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
A |
2 |
2 |
11425 |
◊ |
A |
-x+2,-x+y+1,-z+4/3 |
6_766 |
2 |
2 |
11425 |
18.7 |
0.9 |
0.907 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
C |
4 |
2 |
11519 |
◊ |
B |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
2 |
11323 |
14.6 |
-0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[EDO]A:301 |
2 |
1 |
184 |
◊ |
A |
y,x,-z+1 |
4_556 |
3 |
1 |
11425 |
14.0 |
0.4 |
0.864 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[EDO]A:301 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11323 |
5.1 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[EDO]A:304 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11323 |
0.3 |
0.0 |
0.815 |
0 |
0 |
0 |
0.000 |
|