## |
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 |
|
B |
240 |
56 |
22015 |
◊ |
A |
x,y,z |
1_555 |
233 |
56 |
22148 |
2125.8 |
-26.0 |
0.063 |
23 |
8 |
0 |
0.165 |
2 |
2 |
|
A |
129 |
41 |
22148 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
127 |
41 |
22148 |
1170.0 |
-9.6 |
0.261 |
16 |
8 |
0 |
0.073 |
3 |
3 |
|
B |
80 |
19 |
22015 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
78 |
25 |
22015 |
744.3 |
-7.8 |
0.160 |
9 |
7 |
0 |
0.000 |
4 |
4 |
|
A |
58 |
16 |
22148 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
66 |
23 |
22148 |
553.0 |
-3.3 |
0.377 |
5 |
2 |
0 |
0.000 |
5 |
5 |
|
A |
26 |
8 |
22148 |
◊ |
A |
-x,y,-z+1 |
2_556 |
27 |
8 |
22148 |
209.6 |
-0.5 |
0.601 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
17 |
6 |
22015 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
6 |
22148 |
174.8 |
-1.4 |
0.244 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[SO4]A:806 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
22148 |
96.0 |
-12.5 |
0.649 |
1 |
0 |
0 |
0.106 |
8 |
8 |
|
[SO4]B:805 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
22015 |
88.9 |
-11.9 |
0.885 |
4 |
0 |
0 |
0.060 |
9 |
9 |
|
[SO4]A:804 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
22148 |
88.1 |
-12.0 |
0.826 |
3 |
0 |
0 |
0.110 |
10 |
10 |
|
[SO4]B:806 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
22015 |
84.2 |
-9.9 |
0.961 |
6 |
0 |
0 |
0.055 |
11 |
11 |
|
[SO4]A:809 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22148 |
76.1 |
-10.2 |
0.670 |
1 |
0 |
0 |
0.087 |
12 |
12 |
|
[CL]A:801 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
22148 |
71.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.073 |
13 |
|
[CL]B:801 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
22015 |
59.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
65.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.073 |
13 |
14 |
|
[SO4]A:807 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
22148 |
70.9 |
-9.1 |
0.761 |
2 |
0 |
0 |
0.082 |
14 |
15 |
|
[SO4]A:808 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
22148 |
68.0 |
-8.9 |
0.885 |
2 |
0 |
0 |
0.081 |
15 |
16 |
|
[CL]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22148 |
66.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.082 |
17 |
|
[CL]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
22015 |
63.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
65.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.082 |
16 |
18 |
|
[SO4]A:805 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
22148 |
66.3 |
-9.4 |
0.714 |
0 |
0 |
0 |
0.077 |
17 |
19 |
|
[SO4]B:804 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22148 |
64.3 |
-9.3 |
0.560 |
2 |
0 |
0 |
0.083 |
18 |
20 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
22015 |
62.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.064 |
21 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
22148 |
58.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
60.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.064 |
19 |
22 |
|
[SO4]B:804 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
22015 |
58.7 |
-7.3 |
0.840 |
3 |
0 |
0 |
0.038 |
20 |
23 |
|
[SO4]B:808 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
22015 |
48.0 |
-6.5 |
0.609 |
2 |
0 |
0 |
0.033 |
21 |
24 |
|
[SO4]A:804 |
4 |
1 |
186 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
22148 |
47.2 |
-5.4 |
0.803 |
0 |
0 |
0 |
0.045 |
22 |
25 |
|
[SO4]B:807 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
22015 |
42.5 |
-5.5 |
0.831 |
1 |
0 |
0 |
0.026 |
23 |
26 |
|
[SO4]B:804 |
4 |
1 |
185 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
3 |
22148 |
41.7 |
-5.1 |
0.617 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[SO4]A:806 |
4 |
1 |
186 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
22148 |
39.4 |
-4.1 |
0.919 |
2 |
0 |
0 |
0.000 |
25 |
28 |
|
[SO4]B:807 |
3 |
1 |
184 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
22015 |
35.1 |
-3.5 |
0.933 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[SO4]B:806 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
22148 |
32.3 |
-3.8 |
0.917 |
1 |
0 |
0 |
0.019 |
27 |
30 |
|
[CL]A:802 |
1 |
1 |
125 |
f |
[CL]A:801 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.051 |
28 |
31 |
|
[CL]B:802 |
1 |
1 |
125 |
f |
[CL]B:801 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.025 |
29 |
32 |
|
[SO4]A:807 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22015 |
0.9 |
-0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
|