| ## |
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 |
97 |
25 |
13580 |
x |
B |
-y,x-y,z |
2_555 |
92 |
30 |
13580 |
816.2 |
-9.8 |
0.095 |
3 |
0 |
0 |
0.173 |
| 2 |
2 |
|
A |
65 |
20 |
13639 |
◊ |
A |
x-y,-y,-z |
5_555 |
65 |
20 |
13639 |
559.6 |
-0.6 |
0.646 |
4 |
6 |
0 |
0.000 |
| 3 |
3 |
|
A |
58 |
18 |
13639 |
x |
A |
-y,x-y,z |
2_555 |
63 |
17 |
13639 |
556.3 |
-7.1 |
0.078 |
4 |
0 |
0 |
0.144 |
| 4 |
4 |
|
B |
55 |
18 |
13580 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
13639 |
535.4 |
-7.1 |
0.095 |
5 |
0 |
0 |
0.067 |
| 5 |
5 |
|
B |
42 |
14 |
13580 |
◊ |
B |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
42 |
14 |
13580 |
405.7 |
-3.9 |
0.246 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
27 |
8 |
13580 |
◊ |
A |
-y,x-y,z |
2_555 |
26 |
7 |
13639 |
224.1 |
-2.1 |
0.350 |
2 |
0 |
0 |
0.021 |
| 7 |
7 |
|
[1BN]A:1501 |
11 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
13639 |
200.1 |
6.8 |
0.142 |
0 |
0 |
0 |
0.000 |
8 |
|
[1BN]B:2501 |
12 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
36 |
13 |
13580 |
195.6 |
6.3 |
0.172 |
0 |
0 |
0 |
0.000 |
| Average: |
197.9 |
6.6 |
0.157 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[SO4]A:998 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13639 |
104.3 |
-14.7 |
0.703 |
3 |
0 |
0 |
0.259 |
| 9 |
10 |
|
[SO4]B:999 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13580 |
102.2 |
-15.1 |
0.718 |
2 |
0 |
0 |
0.248 |
| 10 |
11 |
|
B |
15 |
5 |
13580 |
x |
B |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
5 |
2 |
13580 |
82.9 |
-0.3 |
0.300 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
B |
9 |
2 |
13580 |
◊ |
A |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
9 |
3 |
13639 |
70.3 |
0.8 |
0.785 |
0 |
2 |
0 |
0.000 |
| 12 |
13 |
|
[SO4]B:999 |
3 |
1 |
187 |
◊ |
B |
-y,x-y,z |
2_555 |
6 |
3 |
13580 |
45.5 |
-5.7 |
0.818 |
0 |
0 |
0 |
0.088 |
| 13 |
14 |
|
[1BN]B:2501 |
3 |
1 |
337 |
◊ |
B |
-y,x-y,z |
2_555 |
4 |
2 |
13580 |
41.9 |
1.1 |
0.180 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[ZN]A:996 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13639 |
37.4 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.430 |
16 |
|
[ZN]B:997 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13580 |
37.3 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.430 |
| Average: |
37.3 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.430 |
| 15 |
17 |
|
[1BN]A:1501 |
3 |
1 |
337 |
f |
[ZN]A:996 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.189 |
18 |
|
[1BN]B:2501 |
3 |
1 |
337 |
f |
[ZN]B:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.189 |
| Average: |
29.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.189 |
| 16 |
19 |
|
[1BN]A:1501 |
7 |
1 |
337 |
f |
[SO4]A:998 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.036 |
| 17 |
20 |
|
A |
10 |
6 |
13639 |
◊ |
A |
y,x,-z |
4_555 |
11 |
6 |
13639 |
27.1 |
0.7 |
0.747 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
A |
2 |
1 |
13639 |
◊ |
[SO4]A:998 |
-y,x-y,z |
2_555 |
3 |
1 |
186 |
25.1 |
-2.9 |
0.649 |
1 |
0 |
0 |
0.055 |
| 19 |
22 |
|
A |
3 |
1 |
13639 |
◊ |
[1BN]A:1501 |
-y,x-y,z |
2_555 |
2 |
1 |
337 |
23.4 |
0.4 |
0.103 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[1BN]B:2501 |
2 |
1 |
337 |
f |
[SO4]B:999 |
x,y,z |
1_555 |
1 |
1 |
187 |
5.7 |
-0.5 |
0.149 |
0 |
0 |
0 |
0.008 |
| 21 |
24 |
|
[SO4]A:998 |
1 |
1 |
186 |
f |
[ZN]A:996 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
|