## |
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 |
135 |
37 |
13959 |
◊ |
D |
x-1,y-1,z |
1_445 |
131 |
38 |
14455 |
1221.1 |
-9.3 |
0.389 |
19 |
11 |
0 |
0.290 |
2 |
|
A |
128 |
36 |
13963 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
133 |
37 |
13789 |
1198.6 |
-10.8 |
0.298 |
19 |
10 |
0 |
0.290 |
Average: |
1209.9 |
-10.1 |
0.344 |
19 |
11 |
0 |
0.290 |
2 |
3 |
|
B |
69 |
22 |
13959 |
◊ |
A |
x,y,z |
1_555 |
81 |
21 |
13963 |
731.5 |
-8.5 |
0.204 |
6 |
0 |
0 |
0.137 |
4 |
|
D |
70 |
20 |
14455 |
◊ |
C |
x,y,z-1 |
1_554 |
70 |
22 |
13789 |
709.5 |
-9.8 |
0.114 |
5 |
0 |
0 |
0.137 |
Average: |
720.5 |
-9.2 |
0.159 |
6 |
0 |
0 |
0.137 |
3 |
5 |
|
A |
52 |
14 |
13963 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
49 |
16 |
14455 |
469.4 |
-5.7 |
0.244 |
2 |
0 |
0 |
0.000 |
6 |
|
C |
48 |
16 |
13789 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
13959 |
461.4 |
-6.2 |
0.220 |
4 |
0 |
0 |
0.000 |
Average: |
465.4 |
-6.0 |
0.232 |
3 |
0 |
0 |
0.000 |
4 |
7 |
|
A |
42 |
13 |
13963 |
◊ |
B |
x-1,y,z-1 |
1_454 |
42 |
13 |
13959 |
441.9 |
-1.2 |
0.630 |
10 |
2 |
0 |
0.000 |
5 |
8 |
|
[ACP]C:801 |
30 |
1 |
611 |
f |
C |
x,y,z |
1_555 |
46 |
19 |
13789 |
389.8 |
-0.8 |
0.564 |
3 |
0 |
0 |
0.077 |
9 |
|
[ACP]B:801 |
30 |
1 |
623 |
f |
B |
x,y,z |
1_555 |
48 |
21 |
13959 |
375.7 |
-0.8 |
0.659 |
6 |
0 |
0 |
0.077 |
10 |
|
[ACP]D:801 |
29 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
40 |
19 |
14455 |
359.5 |
-0.3 |
0.585 |
3 |
0 |
0 |
0.077 |
11 |
|
[ACP]A:801 |
21 |
1 |
483 |
f |
A |
x,y,z |
1_555 |
34 |
16 |
13963 |
270.8 |
0.1 |
0.525 |
4 |
0 |
0 |
0.077 |
Average: |
349.0 |
-0.4 |
0.583 |
4 |
0 |
0 |
0.077 |
6 |
12 |
|
[SO4]B:802 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
13959 |
121.3 |
-16.8 |
0.779 |
10 |
0 |
0 |
0.318 |
7 |
13 |
|
[SO4]A:802 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
13963 |
120.9 |
-16.9 |
0.799 |
8 |
0 |
0 |
0.260 |
8 |
14 |
|
[SO4]C:802 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
13789 |
120.2 |
-17.2 |
0.788 |
8 |
0 |
0 |
0.263 |
9 |
15 |
|
[SO4]D:802 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
14455 |
119.9 |
-17.2 |
0.784 |
9 |
0 |
0 |
0.316 |
10 |
16 |
|
A |
9 |
4 |
13963 |
◊ |
C |
x,y-1,z-1 |
1_544 |
12 |
5 |
13789 |
98.5 |
-0.4 |
0.554 |
0 |
1 |
0 |
0.000 |
17 |
|
B |
4 |
2 |
13959 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
14455 |
20.7 |
-0.3 |
0.368 |
0 |
0 |
0 |
0.000 |
Average: |
59.6 |
-0.4 |
0.461 |
0 |
1 |
0 |
0.000 |
11 |
18 |
|
[SO4]A:803 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13963 |
81.1 |
-10.9 |
0.903 |
5 |
0 |
0 |
0.166 |
12 |
19 |
|
A |
11 |
4 |
13963 |
◊ |
C |
x-1,y,z-1 |
1_454 |
9 |
4 |
13789 |
73.5 |
0.9 |
0.790 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
10 |
3 |
13959 |
◊ |
D |
x,y-1,z |
1_545 |
8 |
2 |
14455 |
68.8 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
71.2 |
0.6 |
0.749 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
D |
7 |
2 |
14455 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13959 |
49.7 |
-1.0 |
0.232 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
3 |
1 |
13963 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
13789 |
11.6 |
-0.2 |
0.329 |
0 |
0 |
0 |
0.000 |
Average: |
30.7 |
-0.6 |
0.281 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
A |
4 |
2 |
13963 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
14455 |
28.5 |
0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[ACP]B:801 |
1 |
1 |
623 |
◊ |
D |
x-1,y-1,z |
1_445 |
1 |
1 |
14455 |
1.6 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
|