| ## |
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 |
|
C |
61 |
6 |
2152 |
◊ |
A |
x,y,z |
1_555 |
61 |
19 |
9604 |
558.4 |
-2.9 |
0.707 |
13 |
0 |
0 |
0.219 |
2 |
|
D |
58 |
6 |
2151 |
◊ |
B |
x,y,z |
1_555 |
60 |
19 |
9165 |
548.2 |
-3.0 |
0.773 |
12 |
0 |
0 |
0.219 |
| Average: |
553.3 |
-2.9 |
0.740 |
13 |
0 |
0 |
0.219 |
| 2 |
3 |
|
B |
41 |
12 |
9165 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
48 |
16 |
9604 |
455.2 |
-7.6 |
0.221 |
3 |
0 |
0 |
0.146 |
| 3 |
4 |
|
A |
46 |
16 |
9604 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
42 |
16 |
9604 |
442.9 |
-2.8 |
0.573 |
5 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
50 |
18 |
9604 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
13 |
9165 |
390.7 |
-1.5 |
0.740 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
D |
34 |
9 |
2151 |
◊ |
C |
x,y,z |
1_555 |
34 |
9 |
2152 |
355.6 |
-7.1 |
0.456 |
16 |
0 |
0 |
1.000 |
| 6 |
7 |
|
[DGT]B:203 |
28 |
1 |
588 |
f |
B |
x,y,z |
1_555 |
44 |
20 |
9165 |
300.3 |
0.7 |
0.703 |
8 |
0 |
0 |
0.096 |
8 |
|
[DGT]A:202 |
29 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
41 |
19 |
9604 |
289.2 |
0.5 |
0.629 |
8 |
0 |
0 |
0.096 |
| Average: |
294.8 |
0.6 |
0.666 |
8 |
0 |
0 |
0.096 |
| 7 |
9 |
|
D |
18 |
2 |
2151 |
◊ |
A |
x,y,z |
1_555 |
23 |
13 |
9604 |
159.8 |
-2.3 |
0.547 |
4 |
0 |
0 |
0.082 |
10 |
|
C |
16 |
2 |
2152 |
◊ |
B |
x,y,z |
1_555 |
19 |
11 |
9165 |
134.7 |
-1.5 |
0.610 |
2 |
0 |
0 |
0.082 |
| Average: |
147.2 |
-1.9 |
0.579 |
3 |
0 |
0 |
0.082 |
| 8 |
11 |
|
A |
17 |
7 |
9604 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
17 |
8 |
9165 |
146.7 |
-2.3 |
0.392 |
0 |
0 |
0 |
0.003 |
| 9 |
12 |
|
A |
14 |
5 |
9604 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
12 |
4 |
2151 |
97.5 |
-2.8 |
0.402 |
1 |
0 |
0 |
0.077 |
| 10 |
13 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
9 |
9604 |
95.7 |
-13.1 |
0.756 |
1 |
0 |
0 |
0.318 |
| 11 |
14 |
|
[DGT]B:203 |
17 |
1 |
588 |
◊ |
C |
x,y,z |
1_555 |
11 |
1 |
2152 |
95.6 |
2.0 |
0.660 |
0 |
0 |
0 |
0.000 |
15 |
|
[DGT]A:202 |
17 |
1 |
589 |
◊ |
D |
x,y,z |
1_555 |
11 |
1 |
2151 |
91.3 |
2.0 |
0.661 |
0 |
0 |
0 |
0.000 |
| Average: |
93.4 |
2.0 |
0.661 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
7 |
5 |
9165 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
5 |
9165 |
88.2 |
-2.1 |
0.272 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[DGT]B:203 |
8 |
1 |
588 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
2151 |
77.1 |
1.1 |
0.662 |
4 |
0 |
0 |
0.018 |
18 |
|
[DGT]A:202 |
8 |
1 |
589 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
2152 |
73.2 |
1.1 |
0.666 |
4 |
0 |
0 |
0.018 |
| Average: |
75.1 |
1.1 |
0.664 |
4 |
0 |
0 |
0.018 |
| 14 |
19 |
|
A |
14 |
5 |
9604 |
f |
[SO4]D:101 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
186 |
74.8 |
-10.2 |
0.861 |
1 |
0 |
0 |
0.249 |
| 15 |
20 |
|
A |
5 |
2 |
9604 |
◊ |
[DGT]A:202 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
589 |
69.3 |
0.2 |
0.530 |
3 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[SO4]B:202 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
9165 |
64.7 |
-8.6 |
0.819 |
3 |
0 |
0 |
0.162 |
| 17 |
22 |
|
A |
7 |
4 |
9604 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
5 |
9165 |
56.6 |
-1.1 |
0.427 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[MN]B:201 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9165 |
47.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.098 |
24 |
|
[MN]A:201 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9604 |
41.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
44.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.098 |
| 19 |
25 |
|
[SO4]D:101 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
2151 |
46.7 |
-6.2 |
0.658 |
0 |
0 |
0 |
0.145 |
| 20 |
26 |
|
[DGT]B:203 |
6 |
1 |
588 |
f |
[MN]B:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
41.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.108 |
27 |
|
[DGT]A:202 |
6 |
1 |
589 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
39.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.108 |
| 21 |
28 |
|
[DGT]B:203 |
4 |
1 |
588 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
9604 |
29.9 |
0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[SO4]D:101 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9604 |
28.5 |
-4.2 |
0.424 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
A |
1 |
1 |
9604 |
◊ |
[MN]A:201 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
123 |
16.1 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
B |
1 |
1 |
9165 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9604 |
13.7 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[MN]B:201 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2152 |
2.2 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2151 |
0.9 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
1.6 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|