## |
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 |
51 |
14 |
6621 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
47 |
13 |
6449 |
541.9 |
0.7 |
0.667 |
12 |
5 |
0 |
0.000 |
2 |
|
B |
49 |
14 |
6650 |
◊ |
D |
-y+1/2,x-1/2,z-1/4 |
3_544 |
46 |
14 |
6408 |
507.3 |
0.3 |
0.655 |
14 |
4 |
0 |
0.000 |
Average: |
524.6 |
0.5 |
0.661 |
13 |
5 |
0 |
0.000 |
2 |
3 |
|
C |
54 |
19 |
6449 |
◊ |
A |
x,y,z |
1_555 |
67 |
20 |
6621 |
541.2 |
-4.9 |
0.128 |
8 |
0 |
0 |
0.000 |
4 |
|
D |
52 |
18 |
6408 |
◊ |
B |
x,y,z |
1_555 |
61 |
18 |
6650 |
494.2 |
-4.5 |
0.161 |
8 |
0 |
0 |
0.000 |
Average: |
517.7 |
-4.7 |
0.144 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
52 |
18 |
6449 |
◊ |
D |
x-1/2,-y-1/2,-z+1/4 |
6_445 |
48 |
16 |
6408 |
438.8 |
-2.5 |
0.453 |
7 |
0 |
0 |
0.073 |
4 |
6 |
|
B |
50 |
16 |
6650 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
6621 |
423.1 |
-0.3 |
0.555 |
6 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
27 |
10 |
6650 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
27 |
10 |
6650 |
247.5 |
-3.0 |
0.228 |
0 |
0 |
0 |
0.052 |
6 |
8 |
|
A |
17 |
5 |
6621 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
17 |
5 |
6621 |
142.1 |
-0.7 |
0.462 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
8 |
2 |
6621 |
◊ |
B |
-y-1/2,x-1/2,z-1/4 |
3_444 |
17 |
8 |
6650 |
98.0 |
1.2 |
0.590 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
6 |
1 |
6650 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
13 |
7 |
6621 |
92.6 |
1.1 |
0.597 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6621 |
78.0 |
-11.4 |
0.673 |
4 |
0 |
0 |
0.100 |
10 |
12 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6408 |
72.7 |
-10.3 |
0.779 |
4 |
0 |
0 |
0.158 |
11 |
13 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6449 |
71.7 |
-10.3 |
0.784 |
5 |
0 |
0 |
0.165 |
12 |
14 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6650 |
71.6 |
-10.5 |
0.639 |
4 |
0 |
0 |
0.429 |
13 |
15 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
6449 |
71.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.366 |
16 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
6408 |
71.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.366 |
17 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
6650 |
71.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.366 |
Average: |
71.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.366 |
14 |
18 |
|
C |
6 |
1 |
6449 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6650 |
58.4 |
0.3 |
0.696 |
2 |
0 |
0 |
0.000 |
19 |
|
D |
2 |
1 |
6408 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6621 |
14.5 |
0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
Average: |
36.4 |
0.3 |
0.742 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
C |
9 |
4 |
6449 |
◊ |
[SO4]D:201 |
x-1/2,-y-1/2,-z+1/4 |
6_445 |
5 |
1 |
185 |
56.4 |
-5.9 |
0.935 |
1 |
0 |
0 |
0.083 |
16 |
21 |
|
[CL]D:203 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
6408 |
53.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.098 |
17 |
22 |
|
B |
6 |
1 |
6650 |
◊ |
C |
-y+1/2,x-1/2,z-1/4 |
3_544 |
5 |
3 |
6449 |
42.3 |
-0.7 |
0.330 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
5 |
1 |
6621 |
◊ |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
5 |
2 |
6408 |
37.3 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
39.8 |
-0.4 |
0.444 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[SO4]C:201 |
4 |
1 |
185 |
◊ |
D |
x-1/2,-y-1/2,-z+1/4 |
6_445 |
3 |
1 |
6408 |
40.8 |
-3.7 |
0.977 |
2 |
0 |
0 |
0.060 |
19 |
25 |
|
[SO4]B:201 |
4 |
1 |
184 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
5 |
1 |
6650 |
36.3 |
-4.4 |
0.639 |
0 |
0 |
0 |
0.152 |
20 |
26 |
|
[CL]D:203 |
1 |
1 |
125 |
f |
[SO4]D:201 |
x,y,z |
1_555 |
4 |
1 |
185 |
33.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.093 |
21 |
27 |
|
B |
1 |
1 |
6650 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
2 |
2 |
6621 |
21.4 |
-0.7 |
0.139 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
D |
1 |
1 |
6408 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6449 |
0.7 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
|