## |
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 |
|
F |
72 |
19 |
7620 |
◊ |
A |
x,y,z |
1_555 |
70 |
20 |
7701 |
678.9 |
-10.7 |
0.088 |
4 |
0 |
0 |
0.045 |
2 |
2 |
|
A |
52 |
16 |
7701 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
58 |
18 |
7620 |
502.9 |
-2.8 |
0.478 |
1 |
3 |
0 |
0.000 |
3 |
|
A |
54 |
16 |
7701 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
47 |
16 |
7620 |
481.0 |
-2.9 |
0.444 |
3 |
2 |
0 |
0.000 |
Average: |
492.0 |
-2.8 |
0.461 |
2 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
36 |
14 |
7701 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
8 |
7701 |
261.8 |
-0.7 |
0.580 |
3 |
0 |
0 |
0.000 |
5 |
|
F |
22 |
8 |
7620 |
x |
F |
-x+1,y-1/2,-z |
2_645 |
37 |
14 |
7620 |
255.3 |
-1.4 |
0.525 |
4 |
0 |
0 |
0.000 |
Average: |
258.6 |
-1.1 |
0.553 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
25 |
10 |
7701 |
x |
A |
x-1,y,z |
1_455 |
29 |
8 |
7701 |
244.7 |
-1.4 |
0.490 |
1 |
1 |
0 |
0.000 |
5 |
7 |
|
A |
29 |
11 |
7701 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
26 |
10 |
7620 |
240.4 |
-1.5 |
0.482 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
F |
19 |
7 |
7620 |
x |
F |
x-1,y,z |
1_455 |
21 |
7 |
7620 |
154.3 |
-0.4 |
0.600 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[SO4]F:1154 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
18 |
10 |
7620 |
108.9 |
-18.3 |
0.519 |
3 |
0 |
0 |
0.071 |
8 |
10 |
|
[SO4]A:1161 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
7701 |
105.3 |
-17.4 |
0.502 |
3 |
0 |
0 |
0.068 |
9 |
11 |
|
[ACT]F:1159 |
4 |
1 |
180 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
7620 |
100.3 |
-1.4 |
0.485 |
2 |
0 |
0 |
0.008 |
10 |
12 |
|
[SO4]A:1162 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7701 |
83.8 |
-11.2 |
0.766 |
2 |
0 |
0 |
0.044 |
11 |
13 |
|
[SO4]A:1163 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
7701 |
81.9 |
-12.3 |
0.697 |
1 |
0 |
0 |
0.046 |
12 |
14 |
|
[SO4]F:1155 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
4 |
7620 |
81.0 |
-12.4 |
0.673 |
1 |
0 |
0 |
0.047 |
13 |
15 |
|
A |
11 |
3 |
7701 |
f |
[SO4]A:1160 |
x-1,y,z |
1_455 |
5 |
1 |
187 |
73.1 |
-9.2 |
0.854 |
2 |
0 |
0 |
0.037 |
14 |
16 |
|
[SO4]A:1160 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
7701 |
73.0 |
-9.2 |
0.811 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[ACT]A:1158 |
4 |
1 |
182 |
f |
F |
x,y-1,z |
1_545 |
8 |
4 |
7620 |
55.0 |
-0.4 |
0.567 |
1 |
0 |
0 |
0.003 |
16 |
18 |
|
[ACT]A:1159 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7701 |
53.9 |
-0.4 |
0.568 |
1 |
0 |
0 |
0.003 |
17 |
19 |
|
[ZN]A:1157 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7701 |
44.5 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.195 |
20 |
|
[ZN]F:1160 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
7620 |
43.9 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
44.2 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.195 |
18 |
21 |
|
A |
4 |
3 |
7701 |
◊ |
[ACT]F:1159 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
180 |
40.8 |
-0.7 |
0.363 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
6 |
2 |
7701 |
◊ |
F |
x,y-1,z |
1_545 |
5 |
2 |
7620 |
40.3 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[ACT]A:1158 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7701 |
38.5 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[ACT]A:1159 |
3 |
1 |
182 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
1 |
7620 |
37.1 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[ZN]F:1157 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
3 |
3 |
7620 |
36.1 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.205 |
26 |
|
[ZN]A:1155 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
7701 |
35.9 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.205 |
Average: |
36.0 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.205 |
23 |
27 |
|
A |
2 |
1 |
7701 |
◊ |
[SO4]F:1155 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
185 |
32.8 |
-2.3 |
0.979 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[ACT]A:1159 |
3 |
1 |
182 |
◊ |
[ACT]A:1158 |
x,y,z |
1_555 |
3 |
1 |
182 |
32.3 |
-0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[SO4]A:1163 |
1 |
1 |
185 |
cf |
[ZN]A:1157 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.109 |
30 |
|
[SO4]A:1161 |
3 |
1 |
184 |
f |
[ZN]A:1155 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
29.3 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.109 |
26 |
31 |
|
[SO4]F:1155 |
3 |
1 |
185 |
f |
[ZN]F:1160 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.104 |
32 |
|
[SO4]F:1154 |
3 |
1 |
184 |
f |
[ZN]F:1157 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
28.0 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.104 |
27 |
33 |
|
[SO4]A:1163 |
4 |
1 |
185 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
7620 |
26.7 |
-2.1 |
0.961 |
2 |
0 |
0 |
0.000 |
28 |
34 |
|
A |
2 |
1 |
7701 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
7701 |
26.2 |
0.7 |
0.844 |
1 |
0 |
0 |
0.000 |
29 |
35 |
|
[ACT]A:1159 |
2 |
1 |
182 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
7701 |
22.3 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[ACT]A:1158 |
2 |
1 |
182 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
7620 |
22.2 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]A:1162 |
3 |
1 |
185 |
f |
[SO4]A:1161 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.2 |
-2.7 |
0.891 |
0 |
0 |
0 |
0.010 |
32 |
38 |
|
[SO4]A:1160 |
1 |
1 |
187 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
7620 |
5.6 |
-0.6 |
0.807 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO4]F:1155 |
1 |
1 |
185 |
f |
[SO4]F:1154 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.4 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.003 |
34 |
40 |
|
[SO4]A:1163 |
1 |
1 |
185 |
f |
[SO4]A:1161 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.7 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.002 |
35 |
41 |
|
A |
1 |
1 |
7701 |
◊ |
[ZN]F:1160 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
2.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ZN]A:1157 |
1 |
1 |
98 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7620 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
1.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|