| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
45 |
13 |
7489 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
46 |
13 |
7489 |
417.3 |
-0.1 |
0.572 |
2 |
0 |
0 |
0.003 |
2 |
|
C |
43 |
5 |
1550 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
7489 |
391.5 |
-3.0 |
0.575 |
6 |
0 |
0 |
0.028 |
3 |
|
A |
40 |
12 |
7489 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
42 |
12 |
7489 |
335.8 |
1.3 |
0.668 |
2 |
4 |
0 |
0.000 |
4 |
|
B |
22 |
3 |
1025 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
7489 |
223.1 |
-5.2 |
0.300 |
5 |
0 |
0 |
0.066 |
5 |
|
b |
26 |
2 |
690 |
◊ |
A |
x,y,z |
1_555 |
29 |
13 |
7489 |
209.7 |
-4.4 |
0.400 |
5 |
0 |
0 |
0.061 |
6 |
|
B |
18 |
4 |
1025 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
1550 |
178.7 |
-2.4 |
0.532 |
8 |
0 |
0 |
0.067 |
7 |
|
A |
17 |
4 |
7489 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
18 |
6 |
7489 |
138.3 |
-0.5 |
0.488 |
0 |
2 |
0 |
0.000 |
8 |
|
b |
16 |
2 |
690 |
◊ |
C |
x,y,z |
1_555 |
18 |
3 |
1550 |
133.8 |
0.7 |
0.733 |
6 |
0 |
0 |
0.008 |
9 |
|
[GOL]A:210 |
6 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
7489 |
120.2 |
-1.1 |
0.421 |
1 |
0 |
0 |
0.010 |
10 |
|
b |
12 |
1 |
690 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1025 |
93.9 |
3.4 |
0.866 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
13 |
1 |
1550 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1550 |
92.7 |
1.8 |
0.736 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:206 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
7489 |
89.7 |
2.6 |
0.266 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:209 |
4 |
1 |
185 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
16 |
5 |
7489 |
89.6 |
2.7 |
0.480 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:207 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
1550 |
84.8 |
2.8 |
0.292 |
0 |
0 |
0 |
0.000 |
15 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7489 |
83.2 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
16 |
|
[K]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
1550 |
79.6 |
-49.7 |
0.000 |
0 |
0 |
0 |
0.561 |
17 |
|
b |
14 |
1 |
690 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1025 |
73.0 |
-0.2 |
0.661 |
1 |
0 |
0 |
0.004 |
18 |
|
[IOD]A:203 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7489 |
69.9 |
-0.5 |
0.573 |
0 |
0 |
0 |
0.004 |
19 |
|
[K]B:101 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
7489 |
68.4 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.354 |
20 |
|
[IOD]A:204 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7489 |
67.7 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.005 |
21 |
|
[K]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1025 |
63.2 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.372 |
22 |
|
[MN]A:201 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7489 |
63.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.041 |
23 |
|
[GOL]A:205 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7489 |
62.8 |
-0.2 |
0.530 |
1 |
0 |
0 |
0.006 |
24 |
|
[GOL]A:205 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
1550 |
62.1 |
1.5 |
0.716 |
2 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:208 |
3 |
1 |
185 |
f |
A |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
7489 |
54.1 |
1.3 |
0.758 |
0 |
0 |
0 |
0.000 |
26 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
1 |
1025 |
53.6 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.261 |
27 |
|
A |
8 |
3 |
7489 |
◊ |
[EDO]A:208 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
185 |
49.8 |
1.8 |
0.838 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:209 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7489 |
46.5 |
0.8 |
0.587 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
6 |
1 |
1550 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
1025 |
44.8 |
0.5 |
0.619 |
0 |
0 |
0 |
0.000 |
30 |
|
[MN]b:101 |
1 |
1 |
123 |
◊ |
b |
x,y,z |
1_555 |
9 |
2 |
690 |
43.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
31 |
|
[EDO]A:208 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7489 |
43.3 |
1.3 |
0.797 |
0 |
0 |
0 |
0.000 |
32 |
|
[GOL]A:210 |
3 |
1 |
214 |
cf |
A |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
7489 |
43.3 |
0.7 |
0.775 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:207 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
7489 |
40.2 |
0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
34 |
|
[MN]A:211 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
7489 |
37.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.020 |
35 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
690 |
36.2 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.173 |
36 |
|
[MN]b:101 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
7489 |
34.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.015 |
37 |
|
[MN]A:212 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7489 |
31.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
38 |
|
[IOD]A:204 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
7489 |
30.9 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.002 |
39 |
|
[GOL]A:205 |
4 |
1 |
219 |
◊ |
b |
x,y,z |
1_555 |
7 |
2 |
690 |
30.0 |
0.3 |
0.636 |
0 |
0 |
0 |
0.000 |
40 |
|
[MN]A:211 |
1 |
1 |
123 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
690 |
28.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.026 |
41 |
|
[EDO]A:209 |
1 |
1 |
185 |
◊ |
[EDO]A:208 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.2 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
5 |
2 |
7489 |
◊ |
[MN]A:201 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
123 |
26.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[MN]A:212 |
1 |
1 |
123 |
◊ |
b |
x,y,z |
1_555 |
4 |
1 |
690 |
23.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.017 |
44 |
|
[MN]A:212 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
1025 |
20.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
45 |
|
b |
3 |
1 |
690 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1550 |
17.1 |
-0.9 |
0.418 |
0 |
0 |
0 |
0.005 |
46 |
|
A |
5 |
2 |
7489 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1025 |
16.4 |
0.5 |
0.620 |
0 |
0 |
0 |
0.000 |
47 |
|
[K]B:101 |
1 |
1 |
216 |
f |
[MN]A:212 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.089 |
48 |
|
[K]B:101 |
1 |
1 |
216 |
f |
[MN]A:211 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.087 |
49 |
|
[MN]b:101 |
1 |
1 |
123 |
f |
[MN]A:211 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.014 |
50 |
|
[MN]A:212 |
1 |
1 |
123 |
f |
[MN]A:211 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
51 |
|
[K]B:101 |
1 |
1 |
216 |
f |
[MN]b:101 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.060 |
52 |
|
C |
1 |
1 |
1550 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
7489 |
8.6 |
0.2 |
0.544 |
0 |
0 |
0 |
0.000 |
53 |
|
[GOL]A:205 |
3 |
1 |
219 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1025 |
7.0 |
-0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
54 |
|
b |
3 |
1 |
690 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
3.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
55 |
|
[IOD]A:202 |
1 |
1 |
144 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
7489 |
2.2 |
0.0 |
0.792 |
0 |
0 |
0 |
0.000 |
56 |
|
[MN]A:211 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1025 |
1.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
1 |
1 |
7489 |
f |
[EDO]A:209 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
185 |
0.2 |
0.0 |
0.799 |
0 |
0 |
0 |
0.000 |
|