## |
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 |
|
C |
217 |
56 |
8753 |
◊ |
C |
x,-y+1/2,-z+1/4 |
5_555 |
217 |
56 |
8753 |
2076.5 |
-32.8 |
0.222 |
16 |
16 |
0 |
0.363 |
2 |
|
D |
198 |
52 |
8558 |
◊ |
D |
-x,-y,z |
10_444 |
198 |
52 |
8558 |
1906.9 |
-25.9 |
0.338 |
14 |
8 |
0 |
0.363 |
3 |
|
B |
194 |
51 |
8214 |
◊ |
A |
x,y,z |
1_555 |
192 |
53 |
9045 |
1892.3 |
-31.3 |
0.151 |
17 |
11 |
0 |
0.363 |
Average: |
1958.6 |
-30.0 |
0.237 |
16 |
12 |
0 |
0.363 |
2 |
4 |
|
D |
79 |
24 |
8558 |
◊ |
B |
x,y,z |
1_555 |
78 |
20 |
8214 |
724.3 |
-3.1 |
0.770 |
7 |
7 |
0 |
0.114 |
3 |
5 |
|
C |
56 |
16 |
8753 |
◊ |
A |
x,-y+1/2,-z+1/4 |
5_555 |
67 |
20 |
9045 |
643.4 |
-2.6 |
0.783 |
7 |
4 |
0 |
0.030 |
4 |
6 |
|
A |
55 |
15 |
9045 |
◊ |
C |
-y,x+1/2,z+1/4 |
2_555 |
61 |
20 |
8753 |
500.4 |
-3.9 |
0.596 |
6 |
0 |
0 |
0.005 |
5 |
7 |
|
A |
55 |
16 |
9045 |
◊ |
A |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
55 |
16 |
9045 |
450.5 |
-5.0 |
0.660 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
28 |
9 |
8558 |
◊ |
C |
-x,-y,z |
10_444 |
28 |
10 |
8753 |
255.6 |
-3.3 |
0.415 |
3 |
2 |
0 |
0.000 |
7 |
9 |
|
C |
18 |
5 |
8753 |
◊ |
B |
x,-y+1/2,-z+1/4 |
5_555 |
15 |
5 |
8214 |
162.3 |
-1.4 |
0.546 |
1 |
1 |
0 |
0.010 |
8 |
10 |
|
D |
21 |
5 |
8558 |
◊ |
B |
x,-y-1/2,-z+1/4 |
5_545 |
16 |
5 |
8214 |
142.2 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
18 |
5 |
8214 |
◊ |
A |
x,-y-1/2,-z+1/4 |
5_545 |
12 |
3 |
9045 |
138.7 |
-0.4 |
0.687 |
5 |
0 |
0 |
0.000 |
10 |
12 |
|
D |
16 |
6 |
8558 |
◊ |
C |
-x,y-1/2,-z+1/4 |
13_444 |
18 |
5 |
8753 |
129.4 |
-0.7 |
0.659 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[SO4]C:203 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
8753 |
119.9 |
-18.7 |
0.540 |
1 |
0 |
0 |
0.238 |
12 |
14 |
|
[SO4]A:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
9045 |
104.4 |
-17.0 |
0.780 |
2 |
0 |
0 |
0.158 |
13 |
15 |
|
D |
10 |
3 |
8558 |
◊ |
A |
x,-y-1/2,-z+1/4 |
5_545 |
16 |
5 |
9045 |
98.7 |
-0.2 |
0.731 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9045 |
96.7 |
-15.2 |
0.774 |
4 |
0 |
0 |
0.150 |
15 |
17 |
|
D |
14 |
5 |
8558 |
◊ |
B |
-x,-y,z |
10_444 |
11 |
3 |
8214 |
91.8 |
0.5 |
0.802 |
2 |
1 |
0 |
0.003 |
16 |
18 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8753 |
91.7 |
-11.4 |
0.913 |
6 |
0 |
0 |
0.175 |
17 |
19 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8753 |
84.4 |
-12.1 |
0.736 |
2 |
0 |
0 |
0.162 |
18 |
20 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9045 |
79.0 |
-11.2 |
0.791 |
1 |
0 |
0 |
0.103 |
19 |
21 |
|
[SO4]B:202 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
8214 |
78.0 |
-10.9 |
0.820 |
1 |
0 |
0 |
0.179 |
20 |
22 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8558 |
77.6 |
-10.2 |
0.837 |
1 |
0 |
0 |
0.232 |
21 |
23 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8214 |
75.3 |
-9.7 |
0.889 |
2 |
0 |
0 |
0.166 |
22 |
24 |
|
[SO4]B:202 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
8558 |
74.7 |
-10.3 |
0.857 |
1 |
0 |
0 |
0.168 |
23 |
25 |
|
[SO4]C:205 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
8753 |
59.5 |
-8.1 |
0.767 |
1 |
0 |
0 |
0.106 |
24 |
26 |
|
[SO4]D:202 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
8558 |
52.8 |
-7.0 |
0.463 |
1 |
0 |
0 |
0.162 |
25 |
27 |
|
[SO4]C:204 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8753 |
45.7 |
-4.3 |
0.982 |
2 |
0 |
0 |
0.000 |
26 |
28 |
|
[SO4]D:201 |
4 |
1 |
185 |
◊ |
D |
-x,-y,z |
10_444 |
3 |
1 |
8558 |
45.4 |
-3.4 |
0.980 |
1 |
0 |
0 |
0.084 |
27 |
29 |
|
D |
5 |
2 |
8558 |
f |
[SO4]C:204 |
-x,y-1/2,-z+1/4 |
13_444 |
4 |
1 |
185 |
39.5 |
-5.3 |
0.670 |
1 |
0 |
0 |
0.125 |
28 |
30 |
|
[SO4]B:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9045 |
38.6 |
-3.2 |
0.979 |
2 |
0 |
0 |
0.036 |
29 |
31 |
|
B |
4 |
2 |
8214 |
◊ |
A |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
4 |
1 |
9045 |
36.9 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[SO4]A:201 |
4 |
1 |
185 |
◊ |
C |
x,-y+1/2,-z+1/4 |
5_555 |
3 |
1 |
8753 |
35.6 |
-3.4 |
0.943 |
0 |
0 |
0 |
0.016 |
31 |
33 |
|
[SO4]C:201 |
4 |
1 |
185 |
◊ |
C |
x,-y+1/2,-z+1/4 |
5_555 |
2 |
1 |
8753 |
30.7 |
-2.6 |
0.970 |
1 |
0 |
0 |
0.038 |
32 |
34 |
|
[SO4]C:204 |
4 |
1 |
185 |
◊ |
B |
x,-y+1/2,-z+1/4 |
5_555 |
4 |
2 |
8214 |
29.6 |
-3.7 |
0.624 |
0 |
0 |
0 |
0.021 |
33 |
35 |
|
[SO4]C:205 |
1 |
1 |
184 |
◊ |
A |
x,-y+1/2,-z+1/4 |
5_555 |
3 |
1 |
9045 |
24.4 |
-3.2 |
0.755 |
0 |
0 |
0 |
0.016 |
34 |
36 |
|
B |
3 |
2 |
8214 |
◊ |
B |
-x,-y,z |
10_444 |
3 |
2 |
8214 |
22.9 |
0.8 |
0.879 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
D |
2 |
1 |
8558 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9045 |
21.6 |
0.8 |
0.898 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
D |
3 |
1 |
8558 |
◊ |
A |
-x,-y,z |
10_444 |
2 |
1 |
9045 |
21.4 |
0.7 |
0.846 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
C |
3 |
1 |
8753 |
◊ |
A |
-x-1,-y,z |
10_344 |
2 |
1 |
9045 |
15.4 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
C |
2 |
1 |
8753 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9045 |
15.2 |
0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[SO4]C:204 |
3 |
1 |
185 |
◊ |
D |
x,-y+1/2,-z+1/4 |
5_555 |
2 |
1 |
8558 |
15.0 |
-1.6 |
0.905 |
0 |
0 |
0 |
0.035 |
40 |
42 |
|
C |
6 |
3 |
8753 |
◊ |
C |
-x-1,-y,z |
10_344 |
6 |
3 |
8753 |
14.3 |
-0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[SO4]A:203 |
1 |
1 |
184 |
◊ |
A |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
3 |
2 |
9045 |
13.9 |
-1.7 |
0.755 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[SO4]C:203 |
1 |
1 |
185 |
◊ |
C |
x,-y+1/2,-z+1/4 |
5_555 |
1 |
1 |
8753 |
10.3 |
-1.4 |
0.453 |
0 |
0 |
0 |
0.018 |
43 |
45 |
|
[SO4]C:204 |
3 |
1 |
185 |
◊ |
C |
x,-y+1/2,-z+1/4 |
5_555 |
2 |
2 |
8753 |
7.1 |
-0.9 |
0.745 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
D |
2 |
2 |
8558 |
◊ |
B |
-y-1/2,x,z-1/4 |
11_444 |
1 |
1 |
8214 |
2.3 |
0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
A |
2 |
1 |
9045 |
◊ |
A |
x,-y-1/2,-z+1/4 |
5_545 |
2 |
1 |
9045 |
0.5 |
-0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
|