## |
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 |
7617 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
45 |
13 |
7617 |
429.5 |
-0.5 |
0.538 |
2 |
0 |
0 |
0.003 |
2 |
|
C |
42 |
5 |
1554 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
7617 |
391.2 |
-3.4 |
0.558 |
6 |
0 |
0 |
0.022 |
3 |
|
A |
41 |
12 |
7617 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
11 |
7617 |
325.3 |
2.1 |
0.701 |
2 |
5 |
0 |
0.000 |
4 |
|
b |
29 |
2 |
686 |
◊ |
A |
x,y,z |
1_555 |
39 |
15 |
7617 |
237.4 |
-5.5 |
0.291 |
8 |
0 |
0 |
0.040 |
5 |
|
B |
22 |
3 |
1033 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
7617 |
223.6 |
-5.5 |
0.286 |
3 |
0 |
0 |
0.035 |
6 |
|
B |
20 |
4 |
1033 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1554 |
177.3 |
-2.6 |
0.528 |
8 |
0 |
0 |
0.081 |
7 |
|
A |
18 |
4 |
7617 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
20 |
6 |
7617 |
134.5 |
-0.8 |
0.457 |
0 |
0 |
0 |
0.000 |
8 |
|
[GOL]A:215 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
7617 |
124.3 |
-0.5 |
0.496 |
0 |
0 |
0 |
0.002 |
9 |
|
b |
16 |
2 |
686 |
◊ |
C |
x,y,z |
1_555 |
16 |
3 |
1554 |
118.4 |
0.1 |
0.699 |
6 |
0 |
0 |
0.031 |
10 |
|
[GOL]A:211 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
7617 |
102.7 |
-0.7 |
0.449 |
1 |
0 |
0 |
0.006 |
11 |
|
C |
13 |
1 |
1554 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1554 |
96.4 |
1.8 |
0.739 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:213 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
7617 |
91.9 |
2.7 |
0.463 |
2 |
0 |
0 |
0.000 |
13 |
|
b |
13 |
1 |
686 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1033 |
88.7 |
3.1 |
0.872 |
0 |
0 |
0 |
0.000 |
14 |
|
[K]A:205 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
7617 |
87.0 |
-64.0 |
0.000 |
0 |
0 |
0 |
0.329 |
15 |
|
[EDO]A:216 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
3 |
1554 |
84.0 |
2.4 |
0.287 |
1 |
0 |
0 |
0.000 |
16 |
|
[GOL]A:212 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7617 |
82.6 |
0.5 |
0.621 |
1 |
0 |
0 |
0.000 |
17 |
|
[IOD]A:206 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7617 |
79.7 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
18 |
|
[K]B:102 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
7617 |
78.4 |
-48.1 |
0.000 |
0 |
0 |
0 |
0.248 |
19 |
|
[K]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
1554 |
73.1 |
-43.3 |
0.000 |
0 |
0 |
0 |
0.563 |
20 |
|
[IOD]A:207 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
7617 |
70.6 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.002 |
21 |
|
b |
14 |
1 |
686 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1033 |
70.4 |
-0.3 |
0.654 |
1 |
0 |
0 |
0.009 |
22 |
|
[IOD]A:208 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7617 |
69.3 |
-0.5 |
0.497 |
0 |
0 |
0 |
0.003 |
23 |
|
[MN]A:203 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7617 |
66.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.023 |
24 |
|
[GOL]A:210 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
1554 |
64.6 |
1.5 |
0.733 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
9 |
3 |
7617 |
f |
[EDO]A:214 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
184 |
64.1 |
1.0 |
0.476 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:214 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7617 |
62.4 |
1.0 |
0.604 |
0 |
0 |
0 |
0.000 |
27 |
|
[GOL]A:210 |
4 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7617 |
61.7 |
-0.2 |
0.539 |
1 |
0 |
0 |
0.003 |
28 |
|
[GOL]A:211 |
5 |
1 |
214 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
7617 |
58.8 |
0.7 |
0.746 |
2 |
0 |
0 |
0.000 |
29 |
|
[K]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
1033 |
57.6 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.356 |
30 |
|
[GOL]A:212 |
6 |
1 |
220 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
7617 |
51.0 |
-0.3 |
0.562 |
1 |
0 |
0 |
0.004 |
31 |
|
[K]A:205 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
10 |
2 |
686 |
49.9 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.125 |
32 |
|
[K]B:102 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
1033 |
47.5 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.122 |
33 |
|
[EDO]A:216 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
7617 |
45.9 |
1.0 |
0.584 |
0 |
0 |
0 |
0.000 |
34 |
|
[IOD]A:209 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7617 |
44.9 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
7 |
2 |
7617 |
f |
[IOD]A:209 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
144 |
44.3 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.002 |
36 |
|
[GOL]A:215 |
2 |
1 |
221 |
cf |
A |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
7617 |
41.9 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
6 |
1 |
1554 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
1033 |
41.6 |
0.5 |
0.623 |
0 |
0 |
0 |
0.000 |
38 |
|
[MN]A:204 |
1 |
1 |
123 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
38.5 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.221 |
39 |
|
[MN]A:201 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
7617 |
36.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
|
[GOL]A:212 |
4 |
1 |
220 |
◊ |
[GOL]A:211 |
x,y,z |
1_555 |
3 |
1 |
214 |
34.3 |
0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
5 |
2 |
7617 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
34.2 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.069 |
42 |
|
[K]B:102 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
686 |
32.7 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.074 |
43 |
|
[MN]A:202 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7617 |
32.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
44 |
|
[GOL]A:210 |
4 |
1 |
220 |
◊ |
b |
x,y,z |
1_555 |
7 |
2 |
686 |
30.6 |
0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
45 |
|
[MN]A:204 |
1 |
1 |
123 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
5 |
3 |
1554 |
29.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.028 |
46 |
|
[MN]B:101 |
1 |
1 |
123 |
f |
b |
x,y,z |
1_555 |
5 |
2 |
686 |
29.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.059 |
47 |
|
[IOD]A:208 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
7617 |
29.3 |
-0.3 |
0.590 |
0 |
0 |
0 |
0.001 |
48 |
|
[MN]A:204 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7617 |
25.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
49 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
686 |
25.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.011 |
50 |
|
A |
7 |
4 |
7617 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
1033 |
25.2 |
0.7 |
0.660 |
0 |
0 |
0 |
0.000 |
51 |
|
[GOL]A:212 |
2 |
1 |
220 |
◊ |
[IOD]A:206 |
x,y,z |
1_555 |
1 |
1 |
144 |
24.0 |
-0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
4 |
2 |
7617 |
◊ |
[MN]A:203 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
123 |
23.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[K]A:205 |
1 |
1 |
216 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.062 |
54 |
|
[MN]A:202 |
1 |
1 |
123 |
◊ |
b |
x,y,z |
1_555 |
4 |
1 |
686 |
20.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
55 |
|
[MN]A:202 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
1033 |
20.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
56 |
|
b |
4 |
1 |
686 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1554 |
20.3 |
-1.1 |
0.419 |
0 |
0 |
0 |
0.014 |
57 |
|
[MN]B:101 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
7617 |
18.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
58 |
|
[MN]B:101 |
1 |
1 |
123 |
f |
[MN]A:204 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
59 |
|
[MN]B:101 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
1554 |
16.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
60 |
|
[MN]B:101 |
1 |
1 |
123 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
1033 |
16.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
61 |
|
[MN]B:101 |
1 |
1 |
123 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1554 |
15.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.020 |
62 |
|
[K]B:102 |
1 |
1 |
216 |
f |
[MN]A:202 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.042 |
63 |
|
[K]B:102 |
1 |
1 |
216 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.044 |
64 |
|
[MN]B:101 |
1 |
1 |
123 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
14.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.104 |
65 |
|
C |
2 |
1 |
1554 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
7617 |
13.0 |
0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
66 |
|
[K]B:102 |
1 |
1 |
216 |
f |
[K]A:205 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.063 |
67 |
|
[MN]A:202 |
1 |
1 |
123 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
68 |
|
[MN]A:204 |
1 |
1 |
123 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
1033 |
10.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
69 |
|
[IOD]A:206 |
1 |
1 |
144 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
7617 |
5.2 |
-0.0 |
0.754 |
0 |
0 |
0 |
0.000 |
70 |
|
[GOL]A:210 |
3 |
1 |
220 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1033 |
5.0 |
-0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
71 |
|
b |
2 |
1 |
686 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
1.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
72 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1033 |
1.3 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[MN]A:204 |
1 |
1 |
123 |
f |
b |
x,y,z |
1_555 |
1 |
1 |
686 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|