## |
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 |
|
D |
149 |
32 |
6849 |
◊ |
C |
x,y,z |
1_555 |
151 |
36 |
6414 |
1436.9 |
-26.9 |
0.008 |
11 |
9 |
0 |
0.363 |
2 |
|
B |
147 |
34 |
7801 |
◊ |
A |
x,y,z |
1_555 |
142 |
33 |
6471 |
1425.1 |
-27.6 |
0.012 |
8 |
7 |
0 |
0.363 |
Average: |
1431.0 |
-27.3 |
0.010 |
10 |
8 |
0 |
0.363 |
2 |
3 |
|
A |
73 |
20 |
6471 |
◊ |
C |
y,x-1,-z |
4_545 |
80 |
19 |
6414 |
678.8 |
-1.0 |
0.655 |
3 |
0 |
0 |
0.046 |
4 |
|
D |
72 |
20 |
6849 |
◊ |
B |
x,y,z |
1_555 |
71 |
19 |
7801 |
662.9 |
-2.6 |
0.512 |
2 |
0 |
0 |
0.046 |
Average: |
670.8 |
-1.8 |
0.583 |
3 |
0 |
0 |
0.046 |
3 |
5 |
|
B |
58 |
13 |
7801 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
58 |
14 |
6414 |
590.3 |
-4.6 |
0.342 |
12 |
5 |
0 |
0.144 |
4 |
6 |
|
A |
28 |
10 |
6471 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
28 |
10 |
6471 |
203.2 |
1.8 |
0.804 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
19 |
7 |
7801 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
19 |
7 |
7801 |
183.7 |
0.7 |
0.687 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
19 |
4 |
6849 |
◊ |
D |
-x,-x+y,-z-1/3 |
6_554 |
19 |
4 |
6849 |
141.4 |
-0.4 |
0.568 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
11 |
3 |
6471 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
16 |
5 |
6414 |
121.1 |
1.3 |
0.771 |
0 |
1 |
0 |
0.000 |
8 |
10 |
|
B |
8 |
2 |
7801 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
12 |
3 |
6471 |
99.1 |
-2.3 |
0.142 |
0 |
2 |
0 |
0.016 |
9 |
11 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6471 |
86.8 |
-12.2 |
0.802 |
2 |
0 |
0 |
0.147 |
10 |
12 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
6849 |
82.4 |
-11.5 |
0.795 |
3 |
0 |
0 |
0.170 |
11 |
13 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
7801 |
82.3 |
-11.6 |
0.806 |
3 |
0 |
0 |
0.174 |
12 |
14 |
|
[SO4]C:204 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
6414 |
74.1 |
-10.3 |
0.809 |
1 |
0 |
0 |
0.146 |
13 |
15 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
6471 |
71.0 |
-8.7 |
0.936 |
4 |
0 |
0 |
0.118 |
14 |
16 |
|
[SO4]B:201 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7801 |
70.8 |
-9.5 |
0.848 |
3 |
0 |
0 |
0.147 |
15 |
17 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
6414 |
70.6 |
-8.6 |
0.904 |
4 |
0 |
0 |
0.140 |
16 |
18 |
|
C |
8 |
3 |
6414 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7801 |
64.4 |
1.1 |
0.830 |
2 |
4 |
0 |
0.000 |
19 |
|
D |
3 |
2 |
6849 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6471 |
49.0 |
1.2 |
0.890 |
2 |
4 |
0 |
0.000 |
Average: |
56.7 |
1.1 |
0.860 |
2 |
4 |
0 |
0.000 |
17 |
20 |
|
[SO4]C:204 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
6849 |
63.5 |
-9.0 |
0.565 |
1 |
0 |
0 |
0.097 |
18 |
21 |
|
B |
6 |
2 |
7801 |
◊ |
C |
y,x-1,-z |
4_545 |
3 |
2 |
6414 |
59.2 |
1.0 |
0.835 |
2 |
4 |
0 |
0.000 |
22 |
|
A |
6 |
2 |
6471 |
◊ |
D |
y,x-1,-z |
4_545 |
5 |
2 |
6849 |
50.7 |
1.3 |
0.842 |
1 |
4 |
0 |
0.000 |
Average: |
54.9 |
1.2 |
0.839 |
2 |
4 |
0 |
0.000 |
19 |
23 |
|
[SO4]D:201 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
6849 |
58.2 |
-5.8 |
0.958 |
2 |
0 |
0 |
0.089 |
20 |
24 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
C |
y,x-1,-z |
4_545 |
5 |
3 |
6414 |
55.8 |
-7.1 |
0.744 |
2 |
0 |
0 |
0.049 |
21 |
25 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
6849 |
55.7 |
-6.8 |
0.778 |
1 |
0 |
0 |
0.096 |
22 |
26 |
|
[SO4]D:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7801 |
54.8 |
-6.7 |
0.801 |
2 |
0 |
0 |
0.101 |
23 |
27 |
|
[CL]C:205 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
6849 |
49.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.083 |
24 |
28 |
|
B |
4 |
2 |
7801 |
f |
[SO4]C:203 |
-y,x-y-1,z-1/3 |
2_544 |
3 |
1 |
185 |
47.2 |
-5.0 |
0.907 |
2 |
0 |
0 |
0.079 |
25 |
29 |
|
[SO4]C:202 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
6414 |
41.8 |
-4.2 |
0.932 |
2 |
0 |
0 |
0.069 |
26 |
30 |
|
[SO4]C:203 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
6414 |
41.4 |
-4.6 |
0.848 |
1 |
0 |
0 |
0.068 |
27 |
31 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
6471 |
36.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.037 |
28 |
32 |
|
[CL]C:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6414 |
33.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.027 |
29 |
33 |
|
B |
6 |
2 |
7801 |
◊ |
[SO4]C:202 |
-y,x-y-1,z-1/3 |
2_544 |
4 |
1 |
185 |
23.2 |
-2.4 |
0.760 |
0 |
0 |
0 |
0.032 |
30 |
34 |
|
[SO4]B:202 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6414 |
9.1 |
-0.8 |
0.893 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
D |
3 |
1 |
6849 |
◊ |
[SO4]C:202 |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
185 |
7.0 |
-0.9 |
0.684 |
0 |
0 |
0 |
0.005 |
32 |
36 |
|
[SO4]D:201 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7801 |
7.0 |
-0.8 |
0.696 |
0 |
0 |
0 |
0.011 |
33 |
37 |
|
[SO4]A:201 |
2 |
1 |
186 |
◊ |
C |
y,x-1,-z |
4_545 |
1 |
1 |
6414 |
6.7 |
-0.9 |
0.537 |
0 |
0 |
0 |
0.006 |
34 |
38 |
|
[SO4]B:201 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6849 |
6.0 |
-0.8 |
0.638 |
0 |
0 |
0 |
0.011 |
35 |
39 |
|
[SO4]A:202 |
1 |
1 |
185 |
◊ |
D |
y,x-1,-z |
4_545 |
1 |
1 |
6849 |
2.3 |
-0.2 |
0.862 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[SO4]A:201 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7801 |
1.5 |
-0.1 |
0.873 |
0 |
0 |
0 |
0.001 |
37 |
41 |
|
A |
1 |
1 |
6471 |
◊ |
[SO4]C:201 |
y,x-1,-z |
4_545 |
1 |
1 |
185 |
1.0 |
-0.1 |
0.836 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[SO4]D:202 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6471 |
0.8 |
-0.1 |
0.836 |
0 |
0 |
0 |
0.000 |
|