## |
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 |
130 |
35 |
10603 |
◊ |
A |
x,y,z |
1_555 |
90 |
22 |
10778 |
1009.7 |
-2.7 |
0.499 |
14 |
15 |
0 |
0.000 |
2 |
|
D |
118 |
35 |
10263 |
◊ |
B |
x-1,y,z |
1_455 |
95 |
24 |
10603 |
984.8 |
-3.1 |
0.449 |
10 |
12 |
0 |
0.000 |
3 |
|
D |
73 |
16 |
10263 |
◊ |
A |
x,y,z |
1_555 |
105 |
32 |
10778 |
807.5 |
-1.1 |
0.520 |
13 |
9 |
0 |
0.000 |
Average: |
934.0 |
-2.3 |
0.489 |
12 |
12 |
0 |
0.000 |
2 |
4 |
|
B |
41 |
14 |
10603 |
x |
B |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
40 |
13 |
10603 |
347.2 |
-4.4 |
0.197 |
2 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
39 |
11 |
10263 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
32 |
12 |
10778 |
311.3 |
-4.2 |
0.171 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
23 |
7 |
10263 |
◊ |
B |
-x-1/2,y-1/2,-z+3/4 |
5_445 |
24 |
7 |
10603 |
245.4 |
-2.4 |
0.222 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
20 |
7 |
10603 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
16 |
5 |
10778 |
179.2 |
-0.7 |
0.483 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
20 |
9 |
10263 |
x |
D |
-x-1/2,y-1/2,-z+3/4 |
5_445 |
15 |
7 |
10263 |
116.9 |
1.1 |
0.729 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
[SO4]D:403 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
10263 |
102.2 |
-13.8 |
0.879 |
6 |
0 |
0 |
0.035 |
8 |
10 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
10263 |
95.6 |
-13.4 |
0.832 |
3 |
0 |
0 |
0.032 |
9 |
11 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10603 |
95.4 |
-13.1 |
0.857 |
4 |
0 |
0 |
0.034 |
10 |
12 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10778 |
91.6 |
-12.4 |
0.856 |
5 |
0 |
0 |
0.047 |
11 |
13 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
10603 |
82.7 |
-10.3 |
0.817 |
1 |
0 |
0 |
0.024 |
12 |
14 |
|
[SO4]A:401 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
10778 |
78.5 |
-10.2 |
0.885 |
4 |
0 |
0 |
0.000 |
15 |
|
[SO4]B:401 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
10603 |
75.7 |
-10.0 |
0.811 |
3 |
0 |
0 |
0.000 |
16 |
|
[SO4]D:401 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
10263 |
74.0 |
-9.3 |
0.829 |
4 |
0 |
0 |
0.000 |
Average: |
76.1 |
-9.8 |
0.842 |
4 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]D:401 |
5 |
1 |
186 |
f |
B |
x-1,y,z |
1_455 |
14 |
5 |
10603 |
78.4 |
-10.9 |
0.659 |
5 |
0 |
0 |
0.042 |
18 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
10778 |
75.9 |
-10.9 |
0.718 |
5 |
0 |
0 |
0.042 |
Average: |
77.1 |
-10.9 |
0.689 |
5 |
0 |
0 |
0.042 |
14 |
19 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10263 |
72.6 |
-9.9 |
0.639 |
1 |
0 |
0 |
0.022 |
15 |
20 |
|
[MN]B:301 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
10603 |
60.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.010 |
21 |
|
[MN]D:301 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
10263 |
55.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.010 |
22 |
|
[MN]A:301 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10778 |
52.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
56.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.010 |
16 |
23 |
|
[MN]D:302 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
10 |
7 |
10263 |
44.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[MN]A:302 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
10778 |
42.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
43.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[MN]B:301 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
10778 |
36.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[MN]A:301 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10263 |
29.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[MN]D:301 |
1 |
1 |
123 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
10603 |
25.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[MN]A:302 |
1 |
1 |
123 |
cf |
D |
x,y,z |
1_555 |
3 |
1 |
10263 |
29.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.003 |
29 |
|
[MN]D:302 |
1 |
1 |
123 |
f |
B |
x-1,y,z |
1_455 |
4 |
1 |
10603 |
29.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
29.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
19 |
30 |
|
A |
2 |
1 |
10778 |
◊ |
B |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
3 |
1 |
10603 |
22.6 |
0.8 |
0.857 |
1 |
1 |
0 |
0.000 |
20 |
31 |
|
[MN]A:302 |
1 |
1 |
123 |
◊ |
[MN]A:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
19.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[MN]D:302 |
1 |
1 |
123 |
◊ |
[MN]D:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[SO4]D:401 |
1 |
1 |
186 |
◊ |
[MN]D:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
5.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]A:401 |
1 |
1 |
186 |
◊ |
[MN]A:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
4.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
D |
2 |
1 |
10263 |
◊ |
B |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
1 |
1 |
10603 |
3.3 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
|