| ## |
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 |
201 |
59 |
41814 |
◊ |
A |
x,y,z |
1_555 |
202 |
58 |
41726 |
1782.5 |
-9.2 |
0.648 |
24 |
22 |
0 |
0.138 |
| 2 |
2 |
|
B |
73 |
22 |
41814 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
77 |
19 |
41726 |
688.7 |
-2.0 |
0.692 |
5 |
3 |
0 |
0.000 |
| 3 |
3 |
|
[FDA]A:1304 |
53 |
1 |
948 |
f |
A |
x,y,z |
1_555 |
108 |
34 |
41726 |
686.1 |
-8.5 |
0.506 |
18 |
0 |
0 |
0.194 |
4 |
|
[FDA]B:1303 |
52 |
1 |
943 |
f |
B |
x,y,z |
1_555 |
112 |
37 |
41814 |
677.3 |
-8.2 |
0.520 |
18 |
0 |
0 |
0.194 |
| Average: |
681.7 |
-8.3 |
0.513 |
18 |
0 |
0 |
0.194 |
| 4 |
5 |
|
B |
68 |
23 |
41814 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
63 |
23 |
41726 |
557.3 |
-4.8 |
0.416 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
66 |
20 |
41814 |
◊ |
A |
x,y-1,z |
1_545 |
68 |
23 |
41726 |
550.1 |
-6.8 |
0.214 |
2 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[NAI]B:1301 |
42 |
1 |
795 |
f |
B |
x,y,z |
1_555 |
73 |
29 |
41814 |
533.9 |
-7.3 |
0.381 |
8 |
0 |
0 |
0.133 |
8 |
|
[NAI]A:1301 |
39 |
1 |
802 |
f |
A |
x,y,z |
1_555 |
71 |
29 |
41726 |
522.7 |
-7.5 |
0.320 |
9 |
0 |
0 |
0.133 |
| Average: |
528.3 |
-7.4 |
0.350 |
9 |
0 |
0 |
0.133 |
| 7 |
9 |
|
A |
46 |
19 |
41726 |
◊ |
B |
x-1,y,z |
1_455 |
46 |
17 |
41814 |
401.1 |
-2.1 |
0.529 |
3 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[PGE]B:1302 |
10 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
41814 |
150.8 |
3.6 |
0.233 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
B |
21 |
8 |
41814 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
24 |
9 |
41726 |
148.5 |
-0.0 |
0.697 |
1 |
2 |
0 |
0.000 |
| 10 |
12 |
|
[PEG]A:1302 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
41726 |
120.5 |
3.8 |
0.412 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[SO4]A:1307 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
41726 |
90.0 |
-14.5 |
0.664 |
4 |
0 |
0 |
0.097 |
| 12 |
14 |
|
[FMT]A:1303 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
41726 |
85.5 |
-0.4 |
0.381 |
1 |
0 |
0 |
0.005 |
| 13 |
15 |
|
[SO4]A:1305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
41814 |
84.9 |
-11.6 |
0.829 |
2 |
0 |
0 |
0.074 |
| 14 |
16 |
|
[SO4]B:1304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
41726 |
84.9 |
-11.6 |
0.827 |
3 |
0 |
0 |
0.077 |
| 15 |
17 |
|
[SO4]A:1306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
41726 |
70.4 |
-9.7 |
0.898 |
3 |
0 |
0 |
0.065 |
| 16 |
18 |
|
[SO4]A:1305 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
41726 |
69.2 |
-8.9 |
0.827 |
2 |
0 |
0 |
0.058 |
| 17 |
19 |
|
[SO4]B:1304 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
41814 |
69.0 |
-8.9 |
0.809 |
2 |
0 |
0 |
0.058 |
| 18 |
20 |
|
[SO4]B:1305 |
5 |
1 |
184 |
f |
A |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
5 |
41726 |
68.2 |
-8.4 |
0.852 |
1 |
0 |
0 |
0.053 |
| 19 |
21 |
|
B |
10 |
4 |
41814 |
◊ |
[SO4]A:1306 |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
1 |
185 |
50.0 |
-6.1 |
0.799 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[MG]B:1306 |
1 |
1 |
98 |
f |
[NAI]B:1301 |
x,y,z |
1_555 |
6 |
1 |
795 |
44.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.070 |
23 |
|
[MG]A:1308 |
1 |
1 |
98 |
f |
[NAI]A:1301 |
x,y,z |
1_555 |
7 |
1 |
802 |
40.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
42.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.070 |
| 21 |
24 |
|
B |
5 |
1 |
41814 |
◊ |
[NAI]A:1301 |
x,y-1,z |
1_545 |
6 |
1 |
802 |
43.4 |
-0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
B |
3 |
1 |
41814 |
◊ |
[MG]A:1308 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
27.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
A |
5 |
2 |
41726 |
x |
A |
-x,y-1/2,-z+2 |
2_547 |
4 |
3 |
41726 |
27.4 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[MG]B:1306 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
41814 |
18.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
|
[MG]A:1308 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
41726 |
17.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
17.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| 25 |
29 |
|
A |
3 |
1 |
41726 |
◊ |
[MG]B:1306 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
16.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
A |
3 |
1 |
41726 |
◊ |
[NAI]B:1301 |
x-1,y,z |
1_455 |
3 |
1 |
795 |
11.8 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[SO4]B:1305 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
41814 |
4.4 |
-0.6 |
0.537 |
0 |
0 |
0 |
0.000 |
|