## |
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 |
6858 |
◊ |
A |
x,y,z |
1_555 |
89 |
27 |
6739 |
916.0 |
-7.9 |
0.255 |
12 |
6 |
0 |
0.447 |
2 |
|
C |
96 |
25 |
6805 |
◊ |
B |
x,y,z |
1_555 |
95 |
28 |
6858 |
906.5 |
-7.2 |
0.313 |
12 |
6 |
0 |
0.447 |
3 |
|
C |
89 |
28 |
6805 |
◊ |
A |
x,y,z |
1_555 |
91 |
23 |
6739 |
868.1 |
-6.3 |
0.336 |
11 |
6 |
0 |
0.447 |
Average: |
896.9 |
-7.1 |
0.301 |
12 |
6 |
0 |
0.447 |
2 |
4 |
|
B |
26 |
6 |
6858 |
x |
B |
x-y+1,x,z-1/2 |
6_654 |
37 |
11 |
6858 |
308.6 |
-1.5 |
0.391 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
27 |
8 |
6739 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
23 |
9 |
6805 |
234.3 |
-1.1 |
0.403 |
5 |
1 |
0 |
0.071 |
4 |
6 |
|
A |
24 |
8 |
6739 |
◊ |
B |
x-y+1,x,z-1/2 |
6_654 |
21 |
10 |
6858 |
231.8 |
-0.5 |
0.563 |
5 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
28 |
8 |
6739 |
x |
A |
-y+1,x-y+1,z |
2_665 |
21 |
10 |
6739 |
213.9 |
1.8 |
0.726 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[EDO]A:1302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
6739 |
103.3 |
3.7 |
0.493 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[EDO]B:1301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
6858 |
99.1 |
2.6 |
0.445 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
[EDO]B:1303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
6858 |
93.7 |
3.3 |
0.515 |
4 |
0 |
0 |
0.000 |
9 |
11 |
|
[SO4]B:1202 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6858 |
91.1 |
-12.9 |
0.852 |
8 |
0 |
0 |
0.186 |
10 |
12 |
|
[SO4]A:1201 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6739 |
88.7 |
-12.5 |
0.862 |
8 |
0 |
0 |
0.333 |
11 |
13 |
|
[SO4]C:1203 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6805 |
86.5 |
-12.3 |
0.861 |
8 |
0 |
0 |
0.328 |
12 |
14 |
|
C |
11 |
6 |
6805 |
◊ |
A |
x-y+1,x,z+1/2 |
6_655 |
11 |
5 |
6739 |
85.9 |
2.3 |
0.858 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
C |
7 |
2 |
6805 |
x |
C |
-x+1,-y+1,z-1/2 |
4_664 |
12 |
3 |
6805 |
83.0 |
-1.2 |
0.209 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
C |
6 |
2 |
6805 |
x |
C |
-y+1,x-y+1,z |
2_665 |
8 |
2 |
6805 |
75.4 |
-2.4 |
0.095 |
1 |
0 |
0 |
0.028 |
15 |
17 |
|
A |
11 |
4 |
6739 |
◊ |
C |
-x+1,-y+1,z-1/2 |
4_664 |
5 |
3 |
6805 |
66.7 |
0.9 |
0.775 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
A |
9 |
4 |
6739 |
◊ |
[SO4]C:1203 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
183 |
56.6 |
-8.1 |
0.705 |
2 |
0 |
0 |
0.187 |
17 |
19 |
|
[EDO]B:1303 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6739 |
49.4 |
1.0 |
0.727 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:1301 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6739 |
45.0 |
0.8 |
0.721 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[CL]A:1402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6739 |
44.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.100 |
20 |
22 |
|
[CL]B:1401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
6805 |
32.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.089 |
23 |
|
[CL]B:1401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6858 |
32.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.089 |
24 |
|
[CL]B:1401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6739 |
27.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
30.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.089 |
21 |
25 |
|
C |
2 |
2 |
6805 |
◊ |
[CL]A:1402 |
x-y+1,x,z+1/2 |
6_655 |
1 |
1 |
125 |
22.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]A:1302 |
3 |
1 |
185 |
f |
[SO4]A:1201 |
x,y,z |
1_555 |
1 |
1 |
184 |
21.3 |
-2.4 |
0.894 |
1 |
0 |
0 |
0.060 |
23 |
27 |
|
C |
3 |
1 |
6805 |
◊ |
B |
x-y+1,x,z+1/2 |
6_655 |
1 |
1 |
6858 |
14.2 |
0.6 |
0.857 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]A:1302 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6858 |
13.8 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
C |
2 |
1 |
6805 |
◊ |
B |
x-y+1,x,z-1/2 |
6_654 |
1 |
1 |
6858 |
6.0 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[SO4]A:1201 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6858 |
4.7 |
-0.5 |
0.775 |
0 |
0 |
0 |
0.006 |
|