| ## |
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 |
48 |
13 |
7604 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
48 |
13 |
7604 |
434.0 |
-0.5 |
0.546 |
2 |
0 |
0 |
0.002 |
2 |
|
C |
42 |
5 |
1547 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
7604 |
394.4 |
-3.2 |
0.562 |
6 |
0 |
0 |
0.026 |
3 |
|
A |
42 |
12 |
7604 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
11 |
7604 |
322.5 |
2.0 |
0.690 |
2 |
6 |
0 |
0.000 |
4 |
|
b |
30 |
2 |
688 |
◊ |
A |
x,y,z |
1_555 |
38 |
15 |
7604 |
242.1 |
-5.7 |
0.287 |
8 |
0 |
0 |
0.041 |
5 |
|
B |
22 |
3 |
1030 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
7604 |
222.0 |
-5.5 |
0.287 |
3 |
0 |
0 |
0.035 |
6 |
|
B |
19 |
4 |
1030 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1547 |
177.6 |
-2.5 |
0.528 |
8 |
0 |
0 |
0.069 |
7 |
|
A |
18 |
4 |
7604 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
21 |
7 |
7604 |
135.3 |
-0.8 |
0.458 |
0 |
0 |
0 |
0.000 |
8 |
|
[GOL]A:214 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
7604 |
123.7 |
-0.7 |
0.457 |
1 |
0 |
0 |
0.004 |
9 |
|
b |
16 |
2 |
688 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
1547 |
120.1 |
0.1 |
0.701 |
6 |
0 |
0 |
0.009 |
10 |
|
[GOL]A:210 |
6 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
7604 |
102.8 |
-0.7 |
0.447 |
1 |
0 |
0 |
0.006 |
11 |
|
C |
13 |
1 |
1547 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1547 |
94.4 |
1.9 |
0.742 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:212 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7604 |
91.8 |
2.7 |
0.465 |
2 |
0 |
0 |
0.000 |
13 |
|
b |
13 |
1 |
688 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1030 |
88.9 |
3.1 |
0.870 |
0 |
0 |
0 |
0.000 |
14 |
|
[K]A:204 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
7604 |
87.7 |
-63.6 |
0.000 |
0 |
0 |
0 |
0.327 |
15 |
|
[EDO]A:215 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
3 |
1547 |
85.0 |
2.4 |
0.289 |
1 |
0 |
0 |
0.000 |
16 |
|
[GOL]A:211 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7604 |
84.6 |
0.5 |
0.623 |
1 |
0 |
0 |
0.000 |
17 |
|
[K]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
1547 |
80.4 |
-50.0 |
0.000 |
0 |
0 |
0 |
0.759 |
18 |
|
[K]A:216 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
7604 |
79.3 |
-47.8 |
0.000 |
0 |
0 |
0 |
0.246 |
19 |
|
[IOD]A:205 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
7604 |
78.8 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
20 |
|
[IOD]A:206 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7604 |
70.8 |
-0.5 |
0.569 |
0 |
0 |
0 |
0.002 |
21 |
|
b |
14 |
1 |
688 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1030 |
69.8 |
-0.3 |
0.651 |
1 |
0 |
0 |
0.003 |
22 |
|
[IOD]A:207 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7604 |
69.4 |
-0.5 |
0.501 |
0 |
0 |
0 |
0.003 |
23 |
|
[GOL]A:209 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
1547 |
65.6 |
1.5 |
0.733 |
2 |
0 |
0 |
0.000 |
24 |
|
[MN]A:203 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7604 |
65.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.023 |
25 |
|
A |
9 |
3 |
7604 |
f |
[EDO]A:213 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
185 |
64.7 |
0.9 |
0.466 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:213 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7604 |
62.4 |
1.0 |
0.594 |
0 |
0 |
0 |
0.000 |
27 |
|
[GOL]A:209 |
4 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7604 |
62.0 |
-0.1 |
0.544 |
2 |
0 |
0 |
0.005 |
28 |
|
[K]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1030 |
61.7 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.363 |
29 |
|
[GOL]A:210 |
5 |
1 |
213 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
7604 |
58.0 |
0.7 |
0.744 |
2 |
0 |
0 |
0.000 |
30 |
|
[K]A:204 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
11 |
2 |
688 |
51.2 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.129 |
31 |
|
[GOL]A:211 |
6 |
1 |
219 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
7604 |
50.9 |
-0.3 |
0.496 |
0 |
0 |
0 |
0.002 |
32 |
|
[K]A:216 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
1030 |
48.9 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.127 |
33 |
|
[EDO]A:215 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
7604 |
45.5 |
1.0 |
0.587 |
0 |
0 |
0 |
0.000 |
34 |
|
[IOD]A:208 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7604 |
45.3 |
-0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
7 |
2 |
7604 |
f |
[IOD]A:208 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
144 |
44.9 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.002 |
36 |
|
[GOL]A:214 |
2 |
1 |
219 |
cf |
A |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
7604 |
42.8 |
0.6 |
0.751 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
6 |
1 |
1547 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
1030 |
42.8 |
0.6 |
0.633 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
5 |
2 |
7604 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
37.6 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.075 |
39 |
|
[MN]A:201 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
7604 |
36.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
|
[GOL]A:211 |
3 |
1 |
219 |
◊ |
[GOL]A:210 |
x,y,z |
1_555 |
3 |
1 |
213 |
32.6 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
41 |
|
[K]A:216 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
688 |
32.1 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.072 |
42 |
|
[MN]b:101 |
1 |
1 |
123 |
f |
b |
x,y,z |
1_555 |
5 |
2 |
688 |
32.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.100 |
43 |
|
[MN]A:202 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7604 |
31.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.014 |
44 |
|
[GOL]A:209 |
4 |
1 |
220 |
◊ |
b |
x,y,z |
1_555 |
6 |
2 |
688 |
29.5 |
0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]A:207 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7604 |
28.6 |
-0.3 |
0.512 |
0 |
0 |
0 |
0.001 |
46 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
688 |
25.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.011 |
47 |
|
[GOL]A:211 |
3 |
1 |
219 |
◊ |
[IOD]A:205 |
x,y,z |
1_555 |
1 |
1 |
144 |
25.4 |
-0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
4 |
2 |
7604 |
◊ |
[MN]A:203 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
123 |
23.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[MN]b:101 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
7604 |
21.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
50 |
|
[K]A:204 |
1 |
1 |
216 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.061 |
51 |
|
[MN]A:202 |
1 |
1 |
123 |
◊ |
b |
x,y,z |
1_555 |
4 |
1 |
688 |
20.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
52 |
|
[MN]A:202 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
1030 |
20.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
53 |
|
A |
7 |
4 |
7604 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
1030 |
19.3 |
0.6 |
0.640 |
0 |
0 |
0 |
0.000 |
54 |
|
[MN]b:101 |
1 |
1 |
123 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
19.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.162 |
55 |
|
b |
4 |
1 |
688 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1547 |
18.1 |
-1.0 |
0.422 |
0 |
0 |
0 |
0.015 |
56 |
|
[MN]b:101 |
1 |
1 |
123 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
1030 |
17.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
57 |
|
[MN]b:101 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
1547 |
16.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
58 |
|
[MN]b:101 |
1 |
1 |
123 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
2 |
1547 |
15.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
59 |
|
[K]A:216 |
1 |
1 |
216 |
f |
[MN]A:202 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.043 |
60 |
|
[K]A:216 |
1 |
1 |
216 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.043 |
61 |
|
[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 |
62 |
|
[K]A:216 |
1 |
1 |
216 |
f |
[K]A:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.062 |
63 |
|
C |
1 |
1 |
1547 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7604 |
10.2 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
64 |
|
[IOD]A:205 |
1 |
1 |
144 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
7604 |
4.7 |
0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
65 |
|
[GOL]A:209 |
1 |
1 |
220 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
1030 |
2.3 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
66 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1030 |
1.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|