## |
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 |
652 |
180 |
61173 |
◊ |
C |
x,y,z |
1_555 |
605 |
150 |
41976 |
6121.8 |
-83.3 |
0.021 |
62 |
12 |
0 |
0.491 |
2 |
|
F |
229 |
67 |
20904 |
◊ |
D |
x,y,z |
1_555 |
233 |
73 |
61173 |
2238.1 |
-16.7 |
0.397 |
28 |
11 |
0 |
0.168 |
3 |
|
E |
192 |
48 |
5716 |
◊ |
D |
x,y,z |
1_555 |
203 |
54 |
61173 |
1970.5 |
-23.0 |
0.253 |
25 |
4 |
0 |
0.238 |
4 |
|
C |
200 |
56 |
41976 |
◊ |
A |
x,y,z |
1_555 |
191 |
50 |
12795 |
1867.3 |
0.8 |
0.975 |
21 |
14 |
0 |
0.024 |
5 |
|
B |
195 |
52 |
13167 |
◊ |
A |
x,y,z |
1_555 |
170 |
47 |
12795 |
1794.8 |
-32.7 |
0.040 |
9 |
0 |
0 |
1.000 |
6 |
|
F |
158 |
47 |
20904 |
◊ |
C |
x,y,z |
1_555 |
155 |
46 |
41976 |
1509.8 |
-27.3 |
0.038 |
5 |
0 |
0 |
0.435 |
7 |
|
O |
153 |
19 |
7246 |
◊ |
F |
x,y,z |
1_555 |
160 |
43 |
20904 |
1426.9 |
-15.9 |
0.618 |
21 |
0 |
0 |
0.377 |
8 |
|
P |
122 |
26 |
5902 |
◊ |
O |
x,y,z |
1_555 |
130 |
26 |
7246 |
1155.2 |
-11.5 |
0.832 |
58 |
0 |
0 |
1.000 |
9 |
|
D |
121 |
32 |
61173 |
◊ |
B |
x,y,z |
1_555 |
114 |
38 |
13167 |
1103.7 |
-6.8 |
0.656 |
12 |
8 |
0 |
0.030 |
10 |
|
F |
106 |
27 |
20904 |
◊ |
J |
x,y,z |
1_555 |
95 |
20 |
7714 |
1049.7 |
-6.3 |
0.573 |
15 |
18 |
0 |
0.290 |
11 |
|
D |
81 |
23 |
61173 |
◊ |
C |
-x-2,y-1/2,-z+1 |
2_346 |
88 |
21 |
41976 |
828.8 |
-0.0 |
0.868 |
9 |
12 |
0 |
0.000 |
12 |
|
D |
67 |
22 |
61173 |
◊ |
J |
x,y,z |
1_555 |
62 |
21 |
7714 |
608.8 |
-5.7 |
0.507 |
5 |
0 |
0 |
0.025 |
13 |
|
P |
64 |
9 |
5902 |
◊ |
F |
x,y,z |
1_555 |
69 |
19 |
20904 |
599.0 |
-3.4 |
0.759 |
9 |
0 |
0 |
0.025 |
14 |
|
D |
41 |
16 |
61173 |
◊ |
F |
x,y,z-1 |
1_554 |
26 |
10 |
20904 |
340.4 |
-0.2 |
0.662 |
5 |
0 |
0 |
0.000 |
15 |
|
D |
32 |
10 |
61173 |
◊ |
A |
-x-2,y-1/2,-z+1 |
2_346 |
28 |
11 |
12795 |
293.2 |
-1.8 |
0.547 |
1 |
0 |
0 |
0.000 |
16 |
|
D |
36 |
13 |
61173 |
◊ |
O |
-x-1,y-1/2,-z+1 |
2_446 |
27 |
3 |
7246 |
270.5 |
1.5 |
0.746 |
1 |
0 |
0 |
0.000 |
17 |
|
P |
29 |
4 |
5902 |
◊ |
T |
x,y,z |
1_555 |
28 |
11 |
3764 |
234.2 |
-4.4 |
0.539 |
9 |
0 |
0 |
0.100 |
18 |
|
E |
25 |
8 |
5716 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
41976 |
230.2 |
1.4 |
0.891 |
4 |
0 |
0 |
0.001 |
19 |
|
C |
25 |
7 |
41976 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
13167 |
212.6 |
-0.0 |
0.805 |
1 |
0 |
0 |
0.001 |
20 |
|
C |
21 |
6 |
41976 |
◊ |
F |
x,y,z-1 |
1_554 |
25 |
6 |
20904 |
201.0 |
-2.0 |
0.431 |
1 |
0 |
0 |
0.000 |
21 |
|
D |
17 |
7 |
61173 |
◊ |
A |
-x-2,y-1/2,-z |
2_345 |
25 |
8 |
12795 |
195.0 |
-1.1 |
0.591 |
1 |
0 |
0 |
0.000 |
22 |
|
B |
26 |
11 |
13167 |
◊ |
J |
x,y,z-1 |
1_554 |
22 |
9 |
7714 |
189.9 |
-2.6 |
0.531 |
0 |
0 |
0 |
0.000 |
23 |
|
O |
22 |
4 |
7246 |
◊ |
T |
x,y,z |
1_555 |
15 |
5 |
3764 |
177.4 |
-1.2 |
0.682 |
2 |
0 |
0 |
0.000 |
24 |
|
[SO4]D:1406 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
25 |
7 |
61173 |
132.3 |
-19.4 |
0.556 |
2 |
0 |
0 |
0.139 |
25 |
|
D |
20 |
7 |
61173 |
◊ |
P |
-x-1,y-1/2,-z+1 |
2_446 |
14 |
2 |
5902 |
129.6 |
-3.1 |
0.396 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
18 |
6 |
61173 |
◊ |
O |
-x-2,y-1/2,-z+1 |
2_346 |
16 |
2 |
7246 |
129.5 |
-0.5 |
0.641 |
1 |
0 |
0 |
0.000 |
27 |
|
A |
16 |
6 |
12795 |
◊ |
F |
x,y,z-1 |
1_554 |
14 |
3 |
20904 |
127.8 |
-0.3 |
0.630 |
1 |
0 |
0 |
0.000 |
28 |
|
D |
15 |
7 |
61173 |
◊ |
F |
-x-2,y-1/2,-z+1 |
2_346 |
13 |
4 |
20904 |
110.4 |
1.5 |
0.835 |
1 |
0 |
0 |
0.000 |
29 |
|
[SO4]D:1405 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
61173 |
109.6 |
-17.6 |
0.763 |
3 |
0 |
0 |
0.130 |
30 |
|
D |
10 |
3 |
61173 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12795 |
105.4 |
2.9 |
0.943 |
1 |
1 |
0 |
0.000 |
31 |
|
[SO4]D:1407 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
61173 |
94.0 |
-14.1 |
0.835 |
5 |
0 |
0 |
0.111 |
32 |
|
[SO4]D:1408 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
61173 |
91.3 |
-12.4 |
0.846 |
2 |
0 |
0 |
0.091 |
33 |
|
[SO4]F:1201 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
14 |
4 |
20904 |
90.6 |
-8.9 |
0.826 |
1 |
0 |
0 |
0.002 |
34 |
|
[SO4]F:1202 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
20904 |
88.4 |
-13.4 |
0.711 |
2 |
0 |
0 |
0.264 |
35 |
|
[SO4]D:1401 |
3 |
1 |
166 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
61173 |
87.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.086 |
36 |
|
D |
13 |
5 |
61173 |
◊ |
F |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
7 |
20904 |
86.4 |
2.3 |
0.892 |
0 |
0 |
0 |
0.000 |
37 |
|
[SO4]F:1204 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
20904 |
83.1 |
-12.9 |
0.796 |
2 |
0 |
0 |
0.255 |
38 |
|
O |
11 |
3 |
7246 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
7714 |
75.5 |
-0.9 |
0.561 |
2 |
0 |
0 |
0.021 |
39 |
|
[SO4]D:1404 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
61173 |
74.0 |
-6.2 |
0.983 |
3 |
0 |
0 |
0.052 |
40 |
|
O |
10 |
4 |
7246 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
61173 |
72.7 |
-2.1 |
0.452 |
2 |
0 |
0 |
0.010 |
41 |
|
D |
11 |
6 |
61173 |
cf |
[SO4]F:1201 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
70.6 |
-10.6 |
0.772 |
1 |
0 |
0 |
0.076 |
42 |
|
[SO4]D:1403 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
61173 |
69.7 |
-8.5 |
0.912 |
1 |
0 |
0 |
0.061 |
43 |
|
[SO4]F:1203 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
20904 |
67.6 |
-9.8 |
0.682 |
1 |
0 |
0 |
0.191 |
44 |
|
E |
9 |
6 |
5716 |
◊ |
P |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
2 |
5902 |
65.6 |
-2.2 |
0.462 |
0 |
0 |
0 |
0.000 |
45 |
|
[SO4]D:1402 |
2 |
1 |
146 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
61173 |
62.6 |
1.0 |
0.788 |
1 |
0 |
0 |
0.000 |
46 |
|
[SO4]D:1402 |
2 |
1 |
146 |
f |
[SO4]D:1401 |
x,y,z |
1_555 |
3 |
1 |
166 |
56.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.020 |
47 |
|
D |
8 |
4 |
61173 |
◊ |
J |
x,y,z-1 |
1_554 |
7 |
4 |
7714 |
53.5 |
-1.1 |
0.420 |
0 |
0 |
0 |
0.000 |
48 |
|
[SO4]F:1204 |
4 |
1 |
184 |
◊ |
P |
x,y,z |
1_555 |
8 |
1 |
5902 |
44.6 |
-4.1 |
0.875 |
1 |
0 |
0 |
0.015 |
49 |
|
T |
5 |
2 |
3764 |
◊ |
J |
x,y,z |
1_555 |
10 |
3 |
7714 |
41.4 |
1.0 |
0.826 |
1 |
0 |
0 |
0.000 |
50 |
|
C |
7 |
3 |
41976 |
◊ |
J |
x,y,z-1 |
1_554 |
3 |
1 |
7714 |
38.9 |
-0.5 |
0.527 |
0 |
0 |
0 |
0.000 |
51 |
|
P |
7 |
2 |
5902 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
61173 |
37.7 |
0.9 |
0.754 |
0 |
0 |
0 |
0.000 |
52 |
|
[SO4]D:1404 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
41976 |
37.2 |
-4.5 |
0.864 |
0 |
0 |
0 |
0.020 |
53 |
|
P |
8 |
2 |
5902 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
7714 |
35.1 |
-0.5 |
0.563 |
0 |
0 |
0 |
0.001 |
54 |
|
[SO4]F:1204 |
4 |
1 |
184 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
7246 |
27.8 |
-3.3 |
0.717 |
0 |
0 |
0 |
0.049 |
55 |
|
[SO4]F:1203 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
61173 |
22.4 |
-2.5 |
0.866 |
0 |
0 |
0 |
0.014 |
56 |
|
D |
2 |
2 |
61173 |
◊ |
P |
-x-2,y-1/2,-z+1 |
2_346 |
1 |
1 |
5902 |
17.1 |
-0.8 |
0.345 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
1 |
1 |
12795 |
◊ |
T |
x,y,z-1 |
1_554 |
2 |
1 |
3764 |
13.3 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
1 |
1 |
41976 |
◊ |
[SO4]F:1201 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
12.1 |
-1.1 |
0.930 |
0 |
0 |
0 |
0.005 |
59 |
|
O |
1 |
1 |
7246 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
41976 |
0.7 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
60 |
|
A |
1 |
1 |
12795 |
◊ |
J |
x,y,z-1 |
1_554 |
1 |
1 |
7714 |
0.3 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
|