| ## |
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 |
|
D |
807 |
216 |
64529 |
◊ |
C |
x,y,z |
1_555 |
777 |
192 |
55044 |
7683.7 |
-96.6 |
0.001 |
86 |
22 |
0 |
0.592 |
2 |
|
F |
243 |
73 |
22311 |
◊ |
D |
x,y,z |
1_555 |
242 |
70 |
64529 |
2322.2 |
-15.0 |
0.380 |
26 |
11 |
0 |
0.181 |
3 |
|
F |
231 |
64 |
22311 |
◊ |
C |
x,y,z |
1_555 |
235 |
65 |
55044 |
2270.3 |
-29.0 |
0.079 |
13 |
3 |
0 |
0.300 |
4 |
|
E |
195 |
50 |
5700 |
◊ |
D |
x,y,z |
1_555 |
210 |
59 |
64529 |
2033.1 |
-22.7 |
0.146 |
25 |
6 |
0 |
0.361 |
5 |
|
C |
205 |
58 |
55044 |
◊ |
A |
x,y,z |
1_555 |
185 |
50 |
12587 |
1900.8 |
0.1 |
0.930 |
24 |
20 |
0 |
0.038 |
6 |
|
B |
192 |
53 |
12923 |
◊ |
A |
x,y,z |
1_555 |
173 |
45 |
12587 |
1805.3 |
-27.9 |
0.071 |
9 |
5 |
0 |
1.000 |
7 |
|
O |
151 |
19 |
7233 |
◊ |
F |
x,y,z |
1_555 |
153 |
41 |
22311 |
1426.1 |
-14.5 |
0.667 |
26 |
0 |
0 |
0.307 |
8 |
|
P |
124 |
26 |
5871 |
◊ |
O |
x,y,z |
1_555 |
121 |
26 |
7233 |
1138.6 |
-11.9 |
0.821 |
63 |
0 |
0 |
1.000 |
9 |
|
D |
115 |
29 |
64529 |
◊ |
B |
x,y,z |
1_555 |
129 |
42 |
12923 |
1128.6 |
-10.4 |
0.366 |
6 |
5 |
0 |
0.054 |
10 |
|
D |
105 |
31 |
64529 |
◊ |
C |
-x-2,y-1/2,-z+1 |
2_346 |
102 |
26 |
55044 |
964.0 |
3.0 |
0.884 |
11 |
13 |
0 |
0.000 |
11 |
|
F |
102 |
27 |
22311 |
◊ |
J |
x,y,z |
1_555 |
86 |
19 |
7377 |
952.9 |
-7.9 |
0.442 |
9 |
12 |
0 |
0.186 |
12 |
|
D |
74 |
24 |
64529 |
◊ |
J |
x,y,z |
1_555 |
66 |
19 |
7377 |
615.2 |
-6.3 |
0.391 |
7 |
0 |
0 |
0.053 |
13 |
|
P |
63 |
10 |
5871 |
◊ |
F |
x,y,z |
1_555 |
63 |
19 |
22311 |
600.3 |
-4.0 |
0.726 |
10 |
0 |
0 |
0.057 |
14 |
|
D |
33 |
10 |
64529 |
◊ |
A |
-x-2,y-1/2,-z+1 |
2_346 |
33 |
12 |
12587 |
305.0 |
-1.3 |
0.571 |
2 |
0 |
0 |
0.000 |
15 |
|
D |
33 |
11 |
64529 |
◊ |
O |
-x-1,y-1/2,-z+1 |
2_446 |
28 |
3 |
7233 |
254.4 |
0.2 |
0.640 |
1 |
0 |
0 |
0.000 |
16 |
|
P |
29 |
4 |
5871 |
◊ |
T |
x,y,z |
1_555 |
30 |
10 |
3757 |
247.9 |
-4.4 |
0.542 |
8 |
0 |
0 |
0.100 |
17 |
|
E |
25 |
9 |
5700 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
55044 |
236.0 |
1.5 |
0.868 |
4 |
0 |
0 |
0.000 |
18 |
|
C |
25 |
8 |
55044 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
12923 |
214.3 |
-0.1 |
0.772 |
2 |
0 |
0 |
0.002 |
19 |
|
O |
27 |
5 |
7233 |
◊ |
T |
x,y,z |
1_555 |
20 |
5 |
3757 |
197.9 |
-0.2 |
0.780 |
3 |
0 |
0 |
0.000 |
20 |
|
B |
19 |
6 |
12923 |
◊ |
J |
x,y,z-1 |
1_554 |
22 |
8 |
7377 |
177.4 |
-2.0 |
0.412 |
1 |
2 |
0 |
0.000 |
21 |
|
D |
18 |
5 |
64529 |
◊ |
O |
-x-2,y-1/2,-z+1 |
2_346 |
16 |
3 |
7233 |
144.9 |
-0.7 |
0.597 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]C:1205 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
55044 |
124.9 |
3.6 |
0.671 |
1 |
0 |
0 |
0.000 |
23 |
|
[SO4]D:2005 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
64529 |
113.5 |
-17.1 |
0.736 |
4 |
0 |
0 |
0.196 |
24 |
|
D |
16 |
7 |
64529 |
◊ |
P |
-x-1,y-1/2,-z+1 |
2_446 |
13 |
1 |
5871 |
112.0 |
-2.0 |
0.417 |
0 |
0 |
0 |
0.000 |
25 |
|
[SO4]C:1202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
55044 |
112.0 |
-13.9 |
0.931 |
4 |
0 |
0 |
0.134 |
26 |
|
[SO4]F:505 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
22311 |
110.7 |
-15.8 |
0.796 |
3 |
0 |
0 |
0.232 |
27 |
|
[EDO]D:2008 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
64529 |
99.9 |
4.5 |
0.575 |
4 |
0 |
0 |
0.000 |
28 |
|
[EDO]C:1204 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
55044 |
98.0 |
3.0 |
0.514 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]D:2009 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
64529 |
92.9 |
2.0 |
0.245 |
1 |
0 |
0 |
0.000 |
30 |
|
D |
14 |
6 |
64529 |
◊ |
F |
-x-2,y-1/2,-z+1 |
2_346 |
10 |
3 |
22311 |
90.9 |
0.9 |
0.745 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]F:506 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
22311 |
89.6 |
2.7 |
0.291 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]D:2010 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
64529 |
88.5 |
1.8 |
0.387 |
1 |
0 |
0 |
0.000 |
33 |
|
[SO4]F:503 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
22311 |
84.0 |
-11.9 |
0.816 |
3 |
0 |
0 |
0.179 |
34 |
|
[SO4]D:2007 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
64529 |
82.2 |
-11.2 |
0.864 |
4 |
0 |
0 |
0.135 |
35 |
|
[SO4]D:2004 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
64529 |
81.1 |
-11.7 |
0.804 |
4 |
0 |
0 |
0.140 |
36 |
|
[SO4]D:2006 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
64529 |
79.5 |
-7.2 |
0.958 |
4 |
0 |
0 |
0.094 |
37 |
|
O |
10 |
4 |
7233 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
64529 |
78.4 |
-2.0 |
0.461 |
2 |
0 |
0 |
0.016 |
38 |
|
[SO4]F:501 |
5 |
1 |
186 |
cf |
F |
x,y,z |
1_555 |
7 |
3 |
22311 |
73.4 |
-9.0 |
0.951 |
3 |
0 |
0 |
0.140 |
39 |
|
[SO4]F:504 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
22311 |
73.0 |
-9.8 |
0.798 |
1 |
0 |
0 |
0.139 |
40 |
|
[SO4]C:1201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
55044 |
72.7 |
-8.2 |
0.982 |
3 |
0 |
0 |
0.081 |
41 |
|
O |
10 |
3 |
7233 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
7377 |
65.1 |
-0.7 |
0.580 |
2 |
0 |
0 |
0.016 |
42 |
|
[SO4]F:502 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
22311 |
62.0 |
-8.7 |
0.663 |
1 |
0 |
0 |
0.124 |
43 |
|
[SO4]D:2006 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
55044 |
60.2 |
-7.7 |
0.821 |
1 |
0 |
0 |
0.035 |
44 |
|
E |
5 |
2 |
5700 |
◊ |
P |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
2 |
5871 |
52.0 |
-2.0 |
0.443 |
0 |
0 |
0 |
0.000 |
45 |
|
[SO4]C:1203 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
64529 |
50.3 |
-4.8 |
0.953 |
1 |
0 |
0 |
0.054 |
46 |
|
[SO4]C:1203 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
55044 |
48.9 |
-4.3 |
0.969 |
0 |
0 |
0 |
0.018 |
47 |
|
D |
5 |
2 |
64529 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
12587 |
48.5 |
0.3 |
0.412 |
0 |
0 |
0 |
0.000 |
48 |
|
[MG]D:2003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
64529 |
47.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.068 |
49 |
|
[EDO]D:2010 |
4 |
1 |
184 |
◊ |
P |
-x-1,y-1/2,-z+1 |
2_446 |
8 |
1 |
5871 |
47.1 |
1.8 |
0.868 |
1 |
0 |
0 |
0.000 |
50 |
|
[SO4]F:502 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
64529 |
36.7 |
-3.1 |
0.947 |
1 |
0 |
0 |
0.023 |
51 |
|
P |
7 |
2 |
5871 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
64529 |
35.6 |
0.8 |
0.760 |
0 |
0 |
0 |
0.000 |
52 |
|
[EDO]D:2010 |
3 |
1 |
184 |
f |
O |
-x-1,y-1/2,-z+1 |
2_446 |
7 |
1 |
7233 |
29.8 |
1.2 |
0.836 |
0 |
0 |
0 |
0.000 |
53 |
|
[SO4]F:505 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
64529 |
24.8 |
-2.2 |
0.944 |
1 |
0 |
0 |
0.017 |
54 |
|
D |
4 |
3 |
64529 |
◊ |
[EDO]F:506 |
-x-1,y-1/2,-z+1 |
2_446 |
3 |
1 |
183 |
23.6 |
1.0 |
0.918 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]C:1204 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
64529 |
23.4 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
56 |
|
D |
6 |
3 |
64529 |
◊ |
F |
-x-1,y-1/2,-z+1 |
2_446 |
7 |
4 |
22311 |
19.6 |
0.9 |
0.809 |
0 |
0 |
0 |
0.000 |
57 |
|
P |
3 |
2 |
5871 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
7377 |
18.2 |
-0.2 |
0.543 |
0 |
0 |
0 |
0.002 |
58 |
|
[SO4]F:505 |
2 |
1 |
187 |
◊ |
O |
x,y,z |
1_555 |
3 |
2 |
7233 |
15.7 |
-2.2 |
0.618 |
0 |
0 |
0 |
0.026 |
59 |
|
T |
2 |
1 |
3757 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
7377 |
14.2 |
0.5 |
0.789 |
0 |
0 |
0 |
0.000 |
60 |
|
A |
2 |
1 |
12587 |
◊ |
T |
x,y,z-1 |
1_554 |
2 |
2 |
3757 |
13.8 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
3 |
2 |
64529 |
◊ |
P |
-x-2,y-1/2,-z+1 |
2_346 |
2 |
2 |
5871 |
10.5 |
-0.6 |
0.427 |
0 |
0 |
0 |
0.000 |
62 |
|
[SO4]C:1202 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
64529 |
9.4 |
-1.2 |
0.649 |
0 |
0 |
0 |
0.005 |
63 |
|
[SO4]C:1201 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
64529 |
6.2 |
-0.7 |
0.834 |
0 |
0 |
0 |
0.003 |
64 |
|
O |
2 |
1 |
7233 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
55044 |
3.9 |
-0.2 |
0.355 |
0 |
0 |
0 |
0.001 |
65 |
|
[MG]D:2003 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
55044 |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
66 |
|
[EDO]F:506 |
1 |
1 |
183 |
f |
O |
x,y,z |
1_555 |
1 |
1 |
7233 |
0.2 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
|