| ## |
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 |
|
C |
143 |
34 |
10717 |
◊ |
A |
x,y,z |
1_555 |
158 |
40 |
10744 |
1444.9 |
-20.1 |
0.231 |
17 |
14 |
0 |
0.423 |
2 |
|
B |
155 |
40 |
10783 |
◊ |
A |
x,y,z |
1_555 |
142 |
33 |
10744 |
1444.7 |
-19.7 |
0.232 |
16 |
14 |
0 |
0.423 |
3 |
|
C |
158 |
41 |
10717 |
◊ |
B |
x,y,z |
1_555 |
139 |
33 |
10783 |
1435.4 |
-19.6 |
0.228 |
17 |
15 |
0 |
0.423 |
| Average: |
1441.7 |
-19.8 |
0.231 |
17 |
14 |
0 |
0.423 |
| 2 |
4 |
|
B |
32 |
10 |
10783 |
x |
B |
y,x-1,-z |
4_545 |
42 |
14 |
10783 |
354.7 |
-4.9 |
0.390 |
2 |
2 |
0 |
0.000 |
| 3 |
5 |
|
A |
17 |
6 |
10744 |
x |
A |
-x+1,-x+y,-z+1/3 |
6_655 |
21 |
6 |
10744 |
160.5 |
0.2 |
0.715 |
2 |
3 |
0 |
0.000 |
| 4 |
6 |
|
C |
14 |
6 |
10717 |
◊ |
C |
x-y,-y,-z-1/3 |
5_554 |
14 |
6 |
10717 |
121.5 |
3.2 |
0.945 |
2 |
4 |
0 |
0.000 |
| 5 |
7 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
10717 |
109.6 |
-15.0 |
0.815 |
4 |
0 |
0 |
0.081 |
| 6 |
8 |
|
[SO4]B:201 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
10783 |
101.5 |
-13.2 |
0.819 |
5 |
0 |
0 |
0.074 |
| 7 |
9 |
|
[SO4]A:203 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10744 |
95.1 |
-12.4 |
0.796 |
2 |
0 |
0 |
0.064 |
| 8 |
10 |
|
A |
8 |
4 |
10744 |
◊ |
B |
-x+1,-x+y,-z+1/3 |
6_655 |
8 |
3 |
10783 |
65.9 |
-1.0 |
0.451 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[SO4]B:202 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
10717 |
61.5 |
-7.4 |
0.900 |
2 |
0 |
0 |
0.040 |
| 10 |
12 |
|
[SO4]A:204 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
10783 |
58.1 |
-6.8 |
0.921 |
1 |
0 |
0 |
0.035 |
| 11 |
13 |
|
[SO4]A:202 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10717 |
55.6 |
-7.0 |
0.834 |
1 |
0 |
0 |
0.036 |
| 12 |
14 |
|
[SO4]A:205 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10744 |
55.4 |
-6.6 |
0.902 |
2 |
0 |
0 |
0.036 |
| 13 |
15 |
|
[SO4]A:202 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10744 |
55.0 |
-7.1 |
0.812 |
1 |
0 |
0 |
0.036 |
| 14 |
16 |
|
[SO4]A:202 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10783 |
54.6 |
-6.9 |
0.824 |
1 |
0 |
0 |
0.035 |
| 15 |
17 |
|
B |
3 |
2 |
10783 |
◊ |
C |
y,x-1,-z |
4_545 |
5 |
2 |
10717 |
52.6 |
-1.0 |
0.322 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
A |
4 |
2 |
10744 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
6 |
3 |
10783 |
47.1 |
-0.6 |
0.470 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[SO4]A:204 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10744 |
46.4 |
-5.3 |
0.922 |
3 |
0 |
0 |
0.032 |
| 18 |
20 |
|
[SO4]A:205 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10717 |
42.6 |
-5.0 |
0.926 |
1 |
0 |
0 |
0.026 |
| 19 |
21 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
10717 |
41.8 |
-3.2 |
0.960 |
2 |
0 |
0 |
0.020 |
| 20 |
22 |
|
C |
8 |
3 |
10717 |
◊ |
B |
y,x-1,-z |
4_545 |
6 |
3 |
10783 |
41.0 |
0.9 |
0.820 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[SO4]C:201 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
10744 |
40.3 |
-3.5 |
0.968 |
2 |
0 |
0 |
0.021 |
| 22 |
24 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10783 |
39.1 |
-4.5 |
0.917 |
1 |
0 |
0 |
0.024 |
| 23 |
25 |
|
A |
4 |
1 |
10744 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
3 |
2 |
10717 |
39.0 |
-0.7 |
0.316 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
10783 |
38.3 |
-3.3 |
0.964 |
1 |
0 |
0 |
0.018 |
| 25 |
27 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10744 |
29.6 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.155 |
28 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
10717 |
29.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.155 |
29 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
10783 |
29.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.155 |
| Average: |
29.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.155 |
| 26 |
30 |
|
A |
2 |
1 |
10744 |
◊ |
[SO4]A:203 |
-x+1,-x+y,-z+1/3 |
6_655 |
1 |
1 |
187 |
17.7 |
-2.0 |
0.806 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
B |
4 |
2 |
10783 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
2 |
10744 |
15.6 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
1 |
1 |
10783 |
◊ |
[SO4]B:201 |
y,x-1,-z |
4_545 |
1 |
1 |
187 |
12.6 |
-1.4 |
0.827 |
0 |
0 |
0 |
0.000 |
|