## |
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 |
68 |
29 |
17427 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
25 |
17422 |
588.0 |
2.8 |
0.786 |
8 |
0 |
0 |
0.000 |
2 |
|
B |
67 |
25 |
17427 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
65 |
28 |
17422 |
570.6 |
2.8 |
0.785 |
9 |
0 |
0 |
0.000 |
Average: |
579.3 |
2.8 |
0.786 |
9 |
0 |
0 |
0.000 |
2 |
3 |
|
B |
60 |
15 |
17427 |
◊ |
A |
x,y,z |
1_555 |
63 |
15 |
17422 |
567.0 |
-4.4 |
0.331 |
4 |
4 |
0 |
0.072 |
3 |
4 |
|
[CTT]A:1000 |
44 |
1 |
807 |
f |
A |
x,y,z |
1_555 |
77 |
28 |
17422 |
549.5 |
-7.3 |
0.480 |
12 |
0 |
0 |
0.269 |
5 |
|
[CTT]B:1000 |
44 |
1 |
809 |
f |
B |
x,y,z |
1_555 |
77 |
29 |
17427 |
549.4 |
-7.3 |
0.485 |
12 |
0 |
0 |
0.269 |
Average: |
549.5 |
-7.3 |
0.483 |
12 |
0 |
0 |
0.269 |
4 |
6 |
|
A |
28 |
9 |
17422 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
8 |
17422 |
204.0 |
0.3 |
0.678 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[MES]A:1003 |
12 |
1 |
340 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
17422 |
181.1 |
2.7 |
0.132 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[MES]B:1003 |
12 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
17427 |
177.1 |
2.7 |
0.129 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[SO4]B:1002 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17427 |
83.4 |
-11.2 |
0.845 |
4 |
0 |
0 |
0.275 |
10 |
|
[SO4]A:1002 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17422 |
83.2 |
-11.1 |
0.859 |
4 |
0 |
0 |
0.275 |
Average: |
83.3 |
-11.1 |
0.852 |
4 |
0 |
0 |
0.275 |
8 |
11 |
|
B |
5 |
4 |
17427 |
f |
[MES]A:1003 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
340 |
55.1 |
1.4 |
0.350 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[MES]B:1003 |
3 |
1 |
335 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
4 |
17422 |
54.9 |
1.3 |
0.363 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[ZN]A:1001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17427 |
34.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.414 |
14 |
|
[ZN]A:1001 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17422 |
33.8 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.414 |
Average: |
33.9 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.414 |
11 |
15 |
|
B |
6 |
3 |
17427 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
17422 |
33.9 |
0.3 |
0.588 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
2 |
2 |
17427 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
17422 |
10.1 |
-0.2 |
0.421 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
A |
3 |
2 |
17422 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
17427 |
5.0 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
|