| ## |
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 |
|
D |
79 |
18 |
10934 |
◊ |
B |
x,y,z |
1_555 |
77 |
18 |
11573 |
678.4 |
-7.8 |
0.183 |
7 |
0 |
0 |
0.174 |
2 |
|
C |
72 |
18 |
10967 |
◊ |
A |
x,y,z |
1_555 |
75 |
18 |
11712 |
661.9 |
-7.9 |
0.159 |
8 |
0 |
0 |
0.174 |
| Average: |
670.1 |
-7.8 |
0.171 |
8 |
0 |
0 |
0.174 |
| 2 |
3 |
|
C |
79 |
28 |
10967 |
◊ |
B |
-y-1/2,x-1/2,z+1/4 |
3_445 |
77 |
25 |
11573 |
675.4 |
-1.4 |
0.592 |
7 |
0 |
0 |
0.000 |
4 |
|
A |
77 |
27 |
11712 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
77 |
27 |
11712 |
614.1 |
-2.3 |
0.515 |
6 |
0 |
0 |
0.000 |
| Average: |
644.7 |
-1.8 |
0.553 |
7 |
0 |
0 |
0.000 |
| 3 |
5 |
|
D |
57 |
22 |
10934 |
◊ |
A |
x,y,z |
1_555 |
64 |
20 |
11712 |
556.7 |
-6.9 |
0.159 |
2 |
0 |
0 |
0.122 |
6 |
|
C |
57 |
20 |
10967 |
◊ |
B |
x,y,z |
1_555 |
61 |
18 |
11573 |
523.6 |
-7.5 |
0.129 |
1 |
0 |
0 |
0.122 |
| Average: |
540.2 |
-7.2 |
0.144 |
2 |
0 |
0 |
0.122 |
| 4 |
7 |
|
[C1P]A:300 |
34 |
1 |
807 |
cf |
A |
x,y,z |
1_555 |
62 |
22 |
11712 |
439.0 |
-2.3 |
0.473 |
6 |
0 |
0 |
0.158 |
8 |
|
[C1P]D:300 |
32 |
1 |
806 |
cf |
D |
x,y,z |
1_555 |
62 |
22 |
10934 |
433.3 |
-2.7 |
0.445 |
6 |
0 |
0 |
0.158 |
9 |
|
[C1P]B:300 |
34 |
1 |
777 |
cf |
B |
x,y,z |
1_555 |
61 |
22 |
11573 |
420.0 |
-2.2 |
0.476 |
6 |
0 |
0 |
0.158 |
10 |
|
[C1P]C:300 |
34 |
1 |
776 |
cf |
C |
x,y,z |
1_555 |
55 |
20 |
10967 |
413.6 |
-2.4 |
0.461 |
6 |
0 |
0 |
0.158 |
| Average: |
426.5 |
-2.4 |
0.464 |
6 |
0 |
0 |
0.158 |
| 5 |
11 |
|
D |
38 |
12 |
10934 |
◊ |
D |
y,x,-z |
7_555 |
37 |
11 |
10934 |
325.4 |
0.5 |
0.687 |
6 |
2 |
0 |
0.000 |
| 6 |
12 |
|
B |
20 |
5 |
11573 |
◊ |
A |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
21 |
5 |
11712 |
176.8 |
-0.1 |
0.521 |
3 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[SO4]C:301 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10967 |
95.4 |
-12.0 |
0.917 |
4 |
0 |
0 |
0.107 |
| 8 |
14 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11712 |
93.3 |
-12.0 |
0.918 |
5 |
0 |
0 |
0.111 |
| 9 |
15 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
10934 |
90.6 |
-11.1 |
0.913 |
4 |
0 |
0 |
0.101 |
| 10 |
16 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11573 |
85.8 |
-11.9 |
0.914 |
5 |
0 |
0 |
0.110 |
| 11 |
17 |
|
B |
11 |
4 |
11573 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11712 |
83.9 |
-1.4 |
0.311 |
0 |
0 |
0 |
0.011 |
| 12 |
18 |
|
[C1P]D:300 |
5 |
1 |
806 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11573 |
71.2 |
0.2 |
0.478 |
0 |
0 |
0 |
0.000 |
19 |
|
[C1P]A:300 |
4 |
1 |
807 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
10967 |
52.9 |
0.5 |
0.419 |
0 |
0 |
0 |
0.000 |
20 |
|
[C1P]C:300 |
3 |
1 |
776 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11712 |
49.3 |
0.4 |
0.364 |
0 |
0 |
0 |
0.000 |
21 |
|
[C1P]B:300 |
3 |
1 |
777 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10934 |
46.4 |
0.4 |
0.382 |
0 |
0 |
0 |
0.000 |
| Average: |
55.0 |
0.4 |
0.411 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
D |
4 |
2 |
10934 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
10967 |
62.0 |
-2.0 |
0.063 |
0 |
0 |
0 |
0.015 |
| 14 |
23 |
|
[SO4]B:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11712 |
48.3 |
-6.0 |
0.793 |
1 |
0 |
0 |
0.051 |
| 15 |
24 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11573 |
46.4 |
-5.6 |
0.829 |
2 |
0 |
0 |
0.051 |
|