## |
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 |
107 |
33 |
21439 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
94 |
31 |
21319 |
927.4 |
6.0 |
0.870 |
17 |
15 |
0 |
0.000 |
2 |
2 |
|
A |
83 |
27 |
21319 |
◊ |
B |
x,y-1,z |
1_545 |
80 |
25 |
21439 |
700.8 |
0.3 |
0.501 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
65 |
19 |
21439 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
21319 |
491.6 |
-0.6 |
0.451 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
38 |
12 |
21319 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
33 |
9 |
21319 |
309.7 |
-1.4 |
0.339 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
36 |
17 |
21439 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
23 |
11 |
21439 |
219.6 |
1.2 |
0.682 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[POP]B:999 |
9 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
21439 |
181.0 |
-1.0 |
0.508 |
6 |
0 |
0 |
0.010 |
7 |
7 |
|
A |
19 |
6 |
21319 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
5 |
21439 |
162.1 |
-1.4 |
0.256 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[SO4]A:801 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
21319 |
116.3 |
-14.9 |
0.725 |
4 |
0 |
0 |
0.030 |
9 |
9 |
|
[SO4]A:802 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
21319 |
112.2 |
-15.5 |
0.790 |
2 |
0 |
0 |
0.030 |
10 |
10 |
|
[SO4]B:804 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
21439 |
110.0 |
-14.5 |
0.700 |
3 |
0 |
0 |
0.043 |
11 |
11 |
|
[SO4]A:806 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21319 |
82.4 |
-10.9 |
0.817 |
5 |
0 |
0 |
0.024 |
12 |
12 |
|
[SO4]B:803 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
21439 |
62.0 |
-7.6 |
0.916 |
2 |
0 |
0 |
0.023 |
13 |
13 |
|
B |
7 |
3 |
21439 |
◊ |
[SO4]A:806 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
187 |
61.9 |
-7.9 |
0.702 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[NI]B:901 |
1 |
1 |
115 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
21439 |
45.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.024 |
15 |
15 |
|
B |
5 |
1 |
21439 |
◊ |
[SO4]B:803 |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
185 |
45.3 |
-5.3 |
0.783 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
[NI]A:902 |
1 |
1 |
115 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
21319 |
45.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.016 |
17 |
17 |
|
B |
6 |
3 |
21439 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
21319 |
41.5 |
1.1 |
0.790 |
1 |
2 |
0 |
0.000 |
18 |
18 |
|
A |
4 |
2 |
21319 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
6 |
4 |
21439 |
35.9 |
0.7 |
0.752 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
[NI]A:902 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
21439 |
27.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
8 |
2 |
21319 |
◊ |
[NI]B:901 |
x,y-1,z |
1_545 |
1 |
1 |
115 |
27.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
27.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[SO4]A:802 |
1 |
1 |
186 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
21439 |
10.9 |
-1.5 |
0.549 |
0 |
0 |
0 |
0.000 |
|