| ## |
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 |
663 |
179 |
62632 |
◊ |
C |
x,y,z |
1_555 |
612 |
148 |
44084 |
6263.0 |
-83.0 |
0.009 |
68 |
16 |
0 |
0.000 |
2 |
|
F |
230 |
66 |
20907 |
◊ |
D |
x,y,z |
1_555 |
237 |
68 |
62632 |
2207.8 |
-16.4 |
0.310 |
29 |
12 |
0 |
0.289 |
3 |
|
E |
194 |
48 |
5952 |
◊ |
D |
x,y,z |
1_555 |
213 |
55 |
62632 |
1957.4 |
-23.2 |
0.222 |
17 |
2 |
0 |
0.314 |
4 |
|
C |
209 |
59 |
44084 |
◊ |
A |
x,y,z |
1_555 |
189 |
48 |
12607 |
1885.3 |
-2.5 |
0.922 |
24 |
22 |
0 |
0.256 |
5 |
|
B |
167 |
48 |
12835 |
◊ |
A |
x,y,z |
1_555 |
154 |
41 |
12607 |
1647.7 |
-28.7 |
0.042 |
12 |
3 |
0 |
1.000 |
6 |
|
F |
162 |
46 |
20907 |
◊ |
C |
x,y,z |
1_555 |
169 |
52 |
44084 |
1622.2 |
-25.7 |
0.035 |
10 |
0 |
0 |
0.356 |
7 |
|
O |
151 |
19 |
7287 |
◊ |
F |
x,y,z |
1_555 |
159 |
42 |
20907 |
1433.9 |
-14.5 |
0.578 |
24 |
0 |
0 |
0.859 |
8 |
|
D |
122 |
33 |
62632 |
◊ |
B |
x,y,z |
1_555 |
127 |
42 |
12835 |
1162.0 |
-10.9 |
0.459 |
13 |
6 |
0 |
0.206 |
9 |
|
P |
121 |
26 |
5928 |
◊ |
O |
x,y,z |
1_555 |
125 |
26 |
7287 |
1150.5 |
-12.5 |
0.811 |
57 |
0 |
0 |
0.993 |
10 |
|
F |
114 |
26 |
20907 |
◊ |
J |
x,y,z |
1_555 |
97 |
20 |
7572 |
1068.9 |
-6.5 |
0.504 |
16 |
17 |
0 |
0.705 |
11 |
|
D |
88 |
28 |
62632 |
◊ |
C |
-x-2,y-1/2,-z+1 |
2_346 |
93 |
26 |
44084 |
820.7 |
-2.9 |
0.688 |
6 |
11 |
0 |
0.000 |
12 |
|
D |
85 |
27 |
62632 |
◊ |
J |
x,y,z |
1_555 |
64 |
20 |
7572 |
674.7 |
-4.8 |
0.554 |
7 |
0 |
0 |
0.038 |
13 |
|
P |
61 |
9 |
5928 |
◊ |
F |
x,y,z |
1_555 |
70 |
20 |
20907 |
600.4 |
-4.9 |
0.639 |
12 |
0 |
0 |
0.106 |
14 |
|
[KNG]C:1201 |
53 |
1 |
1093 |
f |
C |
x,y,z |
1_555 |
79 |
24 |
44084 |
572.3 |
-4.9 |
0.872 |
6 |
0 |
0 |
0.117 |
15 |
|
D |
34 |
13 |
62632 |
◊ |
F |
x,y,z-1 |
1_554 |
28 |
11 |
20907 |
300.2 |
-0.2 |
0.663 |
3 |
0 |
0 |
0.000 |
16 |
|
D |
31 |
10 |
62632 |
◊ |
A |
-x-2,y-1/2,-z+1 |
2_346 |
31 |
11 |
12607 |
272.6 |
-2.0 |
0.514 |
2 |
0 |
0 |
0.000 |
17 |
|
D |
32 |
13 |
62632 |
◊ |
O |
-x-1,y-1/2,-z+1 |
2_446 |
27 |
3 |
7287 |
265.6 |
2.1 |
0.793 |
2 |
0 |
0 |
0.000 |
18 |
|
E |
28 |
9 |
5952 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
44084 |
246.5 |
1.8 |
0.903 |
6 |
0 |
0 |
0.000 |
19 |
|
C |
25 |
7 |
44084 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
12835 |
203.0 |
-0.1 |
0.790 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
18 |
8 |
62632 |
◊ |
A |
-x-2,y-1/2,-z |
2_345 |
28 |
10 |
12607 |
202.0 |
-2.7 |
0.272 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
19 |
6 |
44084 |
◊ |
F |
x,y,z-1 |
1_554 |
24 |
6 |
20907 |
191.8 |
-2.1 |
0.363 |
1 |
0 |
0 |
0.000 |
22 |
|
B |
19 |
7 |
12835 |
◊ |
J |
x,y,z-1 |
1_554 |
17 |
7 |
7572 |
152.1 |
-0.8 |
0.669 |
0 |
0 |
0 |
0.000 |
23 |
|
D |
16 |
7 |
62632 |
◊ |
P |
-x-1,y-1/2,-z+1 |
2_446 |
12 |
1 |
5928 |
127.8 |
-2.3 |
0.358 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
17 |
5 |
62632 |
◊ |
O |
-x-2,y-1/2,-z+1 |
2_346 |
17 |
3 |
7287 |
121.8 |
-0.6 |
0.595 |
0 |
0 |
0 |
0.000 |
25 |
|
[SO4]C:1204 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
44084 |
119.0 |
-17.9 |
0.774 |
6 |
0 |
0 |
0.320 |
26 |
|
A |
12 |
5 |
12607 |
◊ |
F |
x,y,z-1 |
1_554 |
14 |
2 |
20907 |
117.0 |
-1.5 |
0.404 |
0 |
0 |
0 |
0.000 |
27 |
|
[SO4]D:2006 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
62632 |
110.3 |
-17.0 |
0.755 |
3 |
0 |
0 |
0.214 |
28 |
|
D |
14 |
8 |
62632 |
◊ |
F |
-x-2,y-1/2,-z+1 |
2_346 |
12 |
3 |
20907 |
107.1 |
1.8 |
0.841 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]F:503 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
20907 |
103.6 |
2.9 |
0.455 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]F:504 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
15 |
4 |
20907 |
101.4 |
2.9 |
0.487 |
0 |
0 |
0 |
0.000 |
31 |
|
[SO4]D:2007 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
62632 |
95.5 |
-16.9 |
0.752 |
2 |
0 |
0 |
0.208 |
32 |
|
[SO4]F:502 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
20907 |
87.2 |
-9.1 |
0.864 |
1 |
0 |
0 |
0.000 |
33 |
|
[SO4]D:2004 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
62632 |
82.8 |
-11.3 |
0.823 |
5 |
0 |
0 |
0.158 |
34 |
|
[SO4]C:1202 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
44084 |
73.9 |
-10.7 |
0.826 |
3 |
0 |
0 |
0.187 |
35 |
|
O |
8 |
2 |
7287 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
7572 |
73.4 |
-2.1 |
0.425 |
1 |
0 |
0 |
0.054 |
36 |
|
D |
12 |
6 |
62632 |
f |
[SO4]F:502 |
x,y,z-1 |
1_554 |
5 |
1 |
185 |
72.2 |
-9.3 |
0.838 |
3 |
0 |
0 |
0.124 |
37 |
|
O |
8 |
3 |
7287 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
62632 |
69.9 |
-1.8 |
0.451 |
1 |
0 |
0 |
0.014 |
38 |
|
D |
5 |
2 |
62632 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12607 |
68.0 |
1.3 |
0.762 |
1 |
1 |
0 |
0.000 |
39 |
|
E |
12 |
5 |
5952 |
◊ |
P |
-x-1,y-1/2,-z+1 |
2_446 |
9 |
2 |
5928 |
67.0 |
-2.4 |
0.448 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]D:2005 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
62632 |
66.4 |
-5.6 |
0.979 |
2 |
0 |
0 |
0.000 |
41 |
|
[SO4]F:501 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
20907 |
65.8 |
-9.2 |
0.667 |
1 |
0 |
0 |
0.420 |
42 |
|
[SO4]C:1203 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
44084 |
59.8 |
-7.2 |
0.915 |
1 |
0 |
0 |
0.119 |
43 |
|
A |
9 |
4 |
12607 |
◊ |
J |
x,y,z-1 |
1_554 |
5 |
3 |
7572 |
54.5 |
-0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
44 |
|
[MG]D:2003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
62632 |
49.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.090 |
45 |
|
C |
7 |
4 |
44084 |
◊ |
J |
x,y,z-1 |
1_554 |
5 |
3 |
7572 |
44.4 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
9 |
3 |
62632 |
◊ |
F |
-x-1,y-1/2,-z+1 |
2_446 |
8 |
4 |
20907 |
43.9 |
1.6 |
0.858 |
0 |
0 |
0 |
0.000 |
47 |
|
D |
4 |
2 |
62632 |
◊ |
P |
-x-2,y-1/2,-z+1 |
2_346 |
6 |
2 |
5928 |
43.1 |
-1.1 |
0.509 |
0 |
0 |
0 |
0.000 |
48 |
|
[SO4]D:2005 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
44084 |
37.1 |
-4.6 |
0.838 |
0 |
0 |
0 |
0.000 |
49 |
|
[SO4]C:1202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12835 |
37.0 |
-4.2 |
0.850 |
0 |
0 |
0 |
0.000 |
50 |
|
[SO4]C:1202 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
62632 |
35.6 |
-4.4 |
0.561 |
0 |
0 |
0 |
0.000 |
51 |
|
P |
6 |
2 |
5928 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
62632 |
33.1 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
52 |
|
C |
3 |
1 |
44084 |
◊ |
[SO4]F:502 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
19.1 |
-1.5 |
0.913 |
2 |
0 |
0 |
0.000 |
53 |
|
[EDO]F:503 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
62632 |
18.4 |
0.7 |
0.976 |
0 |
0 |
0 |
0.000 |
54 |
|
[SO4]F:501 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
62632 |
14.9 |
-1.6 |
0.850 |
0 |
0 |
0 |
0.015 |
55 |
|
D |
1 |
1 |
62632 |
◊ |
J |
x,y,z-1 |
1_554 |
3 |
2 |
7572 |
12.2 |
-0.2 |
0.333 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]F:503 |
2 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
1 |
1 |
7287 |
11.1 |
-0.3 |
0.414 |
0 |
0 |
0 |
0.100 |
57 |
|
P |
1 |
1 |
5928 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
7572 |
1.8 |
-0.1 |
0.358 |
0 |
0 |
0 |
0.001 |
|