## |
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 |
|
A |
33 |
8 |
8199 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
45 |
13 |
8311 |
379.8 |
-2.3 |
0.451 |
4 |
6 |
0 |
0.000 |
2 |
|
B |
31 |
9 |
8311 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
8199 |
361.5 |
-3.1 |
0.347 |
3 |
5 |
0 |
0.000 |
Average: |
370.7 |
-2.7 |
0.399 |
4 |
6 |
0 |
0.000 |
2 |
3 |
|
A |
29 |
6 |
8199 |
◊ |
A |
x,-y+1,-z |
4_565 |
29 |
6 |
8199 |
280.8 |
3.1 |
0.869 |
6 |
4 |
0 |
0.000 |
4 |
|
B |
26 |
6 |
8311 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
26 |
6 |
8311 |
242.0 |
3.6 |
0.896 |
2 |
0 |
0 |
0.000 |
Average: |
261.4 |
3.4 |
0.882 |
4 |
2 |
0 |
0.000 |
3 |
5 |
|
P |
26 |
4 |
754 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
8311 |
277.2 |
-2.1 |
0.605 |
3 |
2 |
0 |
0.011 |
4 |
6 |
|
P |
18 |
5 |
754 |
◊ |
A |
x,-y+1,-z |
4_565 |
19 |
5 |
8199 |
167.2 |
-1.6 |
0.310 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
14 |
5 |
8311 |
◊ |
B |
x,-y+1,-z |
4_565 |
14 |
5 |
8311 |
163.2 |
1.5 |
0.793 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
15 |
6 |
8199 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
14 |
4 |
8311 |
142.0 |
-0.3 |
0.418 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
22 |
6 |
8311 |
◊ |
A |
x,-y+1,-z |
4_565 |
16 |
5 |
8199 |
137.8 |
-1.2 |
0.422 |
1 |
1 |
0 |
0.000 |
8 |
10 |
|
P |
12 |
2 |
754 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
8199 |
123.0 |
-1.1 |
0.534 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[SO4]B:1201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8311 |
96.4 |
-14.4 |
0.875 |
4 |
0 |
0 |
0.055 |
10 |
12 |
|
[SO4]A:1201 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8199 |
88.4 |
-12.7 |
0.858 |
5 |
0 |
0 |
0.055 |
11 |
13 |
|
[CL]B:1203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8311 |
58.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.025 |
14 |
|
[CL]A:1203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8199 |
42.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
50.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.025 |
12 |
15 |
|
[SO4]A:1202 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
8199 |
56.4 |
-5.9 |
0.925 |
2 |
0 |
0 |
0.025 |
13 |
16 |
|
[SO4]B:1202 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
8311 |
49.1 |
-5.2 |
0.949 |
2 |
0 |
0 |
0.021 |
14 |
17 |
|
[CL]A:1203 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
8199 |
34.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
|
[CL]B:1203 |
1 |
1 |
125 |
◊ |
B |
x,-y+1,-z |
4_565 |
1 |
1 |
8311 |
19.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
27.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[CL]B:1203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
8199 |
31.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
[CL]A:1203 |
1 |
1 |
125 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
8311 |
30.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[SO4]A:1202 |
3 |
1 |
186 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
5 |
3 |
8311 |
29.0 |
-3.7 |
0.730 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]B:1202 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8199 |
28.5 |
-3.8 |
0.700 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
8 |
5 |
8199 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
8 |
5 |
8199 |
19.1 |
0.9 |
0.760 |
0 |
0 |
0 |
0.000 |
|