## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
E |
82 |
27 |
12089 |
◊ |
B |
x,y,z |
1_555 |
85 |
26 |
11894 |
830.4 |
-12.5 |
0.090 |
2 |
0 |
0 |
0.364 |
2 |
|
D |
81 |
26 |
12185 |
◊ |
C |
x,y,z |
1_555 |
83 |
25 |
11980 |
829.6 |
-12.3 |
0.092 |
2 |
0 |
0 |
0.364 |
3 |
|
F |
80 |
25 |
11963 |
◊ |
A |
x,y,z |
1_555 |
78 |
25 |
12094 |
819.1 |
-11.9 |
0.089 |
2 |
0 |
0 |
0.364 |
Average: |
826.3 |
-12.2 |
0.090 |
2 |
0 |
0 |
0.364 |
2 |
4 |
|
B |
54 |
17 |
11894 |
◊ |
C |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
76 |
24 |
11980 |
606.3 |
-3.0 |
0.550 |
4 |
2 |
0 |
0.000 |
3 |
5 |
|
B |
66 |
18 |
11894 |
◊ |
A |
x,y,z |
1_555 |
62 |
20 |
12094 |
605.8 |
-8.2 |
0.159 |
8 |
4 |
0 |
0.541 |
6 |
|
C |
59 |
20 |
11980 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
12094 |
602.5 |
-6.8 |
0.241 |
6 |
4 |
0 |
0.541 |
7 |
|
C |
64 |
18 |
11980 |
◊ |
B |
x,y,z |
1_555 |
60 |
19 |
11894 |
586.9 |
-6.9 |
0.241 |
7 |
4 |
0 |
0.541 |
8 |
|
F |
66 |
20 |
11963 |
◊ |
D |
x,y,z |
1_555 |
67 |
19 |
12185 |
583.0 |
-6.5 |
0.263 |
8 |
5 |
0 |
0.541 |
9 |
|
F |
68 |
19 |
11963 |
◊ |
E |
x,y,z |
1_555 |
65 |
20 |
12089 |
572.4 |
-6.7 |
0.263 |
7 |
2 |
0 |
0.541 |
10 |
|
E |
63 |
19 |
12089 |
◊ |
D |
x,y,z |
1_555 |
61 |
20 |
12185 |
568.6 |
-6.3 |
0.265 |
6 |
4 |
0 |
0.541 |
Average: |
586.5 |
-6.9 |
0.239 |
7 |
4 |
0 |
0.541 |
4 |
11 |
|
E |
48 |
14 |
12089 |
◊ |
A |
x,-y-1,-z+1 |
3_546 |
41 |
15 |
12094 |
411.3 |
-2.0 |
0.551 |
2 |
2 |
0 |
0.000 |
5 |
12 |
|
C |
44 |
15 |
11980 |
◊ |
C |
-x+1,y,-z+3/2 |
4_656 |
43 |
15 |
11980 |
400.2 |
-4.6 |
0.311 |
2 |
0 |
0 |
0.171 |
6 |
13 |
|
E |
21 |
6 |
12089 |
◊ |
E |
-x+1,y,-z+1/2 |
4_655 |
21 |
6 |
12089 |
159.2 |
-1.8 |
0.443 |
2 |
0 |
0 |
0.019 |
7 |
14 |
|
F |
17 |
5 |
11963 |
◊ |
D |
-x+1,y,-z+1/2 |
4_655 |
16 |
6 |
12185 |
118.6 |
-1.3 |
0.464 |
2 |
0 |
0 |
0.030 |
8 |
15 |
|
F |
12 |
6 |
11963 |
◊ |
E |
-x+1,y,-z+1/2 |
4_655 |
12 |
6 |
12089 |
107.9 |
-0.3 |
0.617 |
1 |
0 |
0 |
0.010 |
9 |
16 |
|
D |
12 |
3 |
12185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
11894 |
101.4 |
3.6 |
0.943 |
0 |
0 |
0 |
0.000 |
17 |
|
F |
5 |
2 |
11963 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
11980 |
27.7 |
1.5 |
0.901 |
0 |
0 |
0 |
0.000 |
18 |
|
E |
1 |
1 |
12089 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12094 |
4.1 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
Average: |
44.4 |
1.7 |
0.831 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[EDO]C:302 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
11980 |
82.6 |
2.1 |
0.281 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[EDO]E:303 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
12089 |
78.1 |
1.4 |
0.766 |
4 |
0 |
0 |
0.009 |
12 |
21 |
|
[SO4]A:302 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12094 |
75.0 |
-11.2 |
0.781 |
2 |
0 |
0 |
0.229 |
13 |
22 |
|
[EDO]B:302 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
11894 |
74.8 |
1.3 |
0.756 |
2 |
0 |
0 |
0.000 |
14 |
23 |
|
[SO4]F:302 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
11963 |
73.7 |
-9.7 |
0.779 |
3 |
0 |
0 |
0.208 |
15 |
24 |
|
[EDO]D:302 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
12185 |
73.4 |
1.3 |
0.781 |
4 |
0 |
0 |
0.096 |
16 |
25 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
11894 |
68.4 |
-9.0 |
0.759 |
1 |
0 |
0 |
0.256 |
17 |
26 |
|
[LI]C:301 |
1 |
1 |
130 |
x |
C |
x,y,z |
1_555 |
10 |
6 |
11980 |
61.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.267 |
18 |
27 |
|
[SO4]F:301 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
11980 |
61.0 |
-8.6 |
0.646 |
1 |
0 |
0 |
0.562 |
19 |
28 |
|
[SO4]E:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
12094 |
54.3 |
-8.0 |
0.595 |
1 |
0 |
0 |
0.160 |
20 |
29 |
|
[SO4]E:302 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
12089 |
52.4 |
-5.7 |
0.933 |
2 |
0 |
0 |
0.178 |
21 |
30 |
|
[SO4]A:303 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12094 |
51.7 |
-5.8 |
0.928 |
2 |
0 |
0 |
0.127 |
22 |
31 |
|
[SO4]A:301 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
12089 |
51.6 |
-7.2 |
0.645 |
1 |
0 |
0 |
0.207 |
23 |
32 |
|
[SO4]B:301 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
12185 |
49.9 |
-6.7 |
0.669 |
1 |
0 |
0 |
0.035 |
24 |
33 |
|
E |
7 |
3 |
12089 |
◊ |
D |
-x+1,y,-z+1/2 |
4_655 |
8 |
3 |
12185 |
48.3 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[SO4]F:302 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
11980 |
46.6 |
-4.5 |
0.968 |
2 |
0 |
0 |
0.027 |
26 |
35 |
|
[SO4]F:301 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
11963 |
46.0 |
-4.7 |
0.948 |
2 |
0 |
0 |
0.028 |
27 |
36 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
12094 |
44.7 |
-4.7 |
0.934 |
2 |
0 |
0 |
0.027 |
28 |
37 |
|
F |
8 |
2 |
11963 |
◊ |
F |
-x+1,y,-z+1/2 |
4_655 |
8 |
2 |
11963 |
44.3 |
-0.4 |
0.488 |
0 |
0 |
0 |
0.003 |
29 |
38 |
|
[SO4]E:301 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
12089 |
43.8 |
-4.7 |
0.960 |
2 |
0 |
0 |
0.028 |
30 |
39 |
|
D |
7 |
3 |
12185 |
◊ |
B |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
4 |
2 |
11894 |
43.5 |
0.4 |
0.632 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
[LI]D:301 |
1 |
1 |
130 |
f |
[LI]D:301 |
-x+1,y,-z+1/2 |
4_655 |
1 |
1 |
130 |
38.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.100 |
32 |
41 |
|
A |
6 |
3 |
12094 |
◊ |
A |
-x+1,y,-z+3/2 |
4_656 |
6 |
3 |
12094 |
26.5 |
1.0 |
0.832 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
[LI]D:301 |
1 |
1 |
130 |
x |
E |
x,y,z |
1_555 |
8 |
4 |
12089 |
25.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.131 |
43 |
|
[LI]D:301 |
1 |
1 |
130 |
x |
D |
x,y,z |
1_555 |
6 |
4 |
12185 |
25.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.131 |
44 |
|
[LI]D:301 |
1 |
1 |
130 |
x |
F |
x,y,z |
1_555 |
5 |
2 |
11963 |
24.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
25.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.131 |
34 |
45 |
|
[SO4]A:302 |
1 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11963 |
12.9 |
-1.8 |
0.390 |
0 |
0 |
0 |
0.034 |
35 |
46 |
|
[SO4]F:302 |
1 |
1 |
186 |
◊ |
[SO4]F:301 |
x,y,z |
1_555 |
3 |
1 |
186 |
12.7 |
-2.8 |
0.891 |
0 |
0 |
0 |
0.014 |
36 |
47 |
|
[EDO]B:302 |
2 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12089 |
7.1 |
0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
D |
2 |
2 |
12185 |
◊ |
D |
-x+1,y,-z+1/2 |
4_655 |
2 |
2 |
12185 |
6.3 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[SO4]E:301 |
3 |
1 |
184 |
◊ |
[SO4]A:301 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.4 |
-1.2 |
0.894 |
0 |
0 |
0 |
0.006 |
39 |
50 |
|
[EDO]D:302 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11980 |
5.1 |
0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[EDO]C:302 |
1 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
12185 |
4.9 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.004 |
41 |
52 |
|
[EDO]E:303 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11894 |
2.1 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|