## |
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 |
53 |
19 |
7239 |
◊ |
B |
x,y,z |
1_555 |
55 |
19 |
7291 |
533.7 |
-1.4 |
0.501 |
3 |
3 |
0 |
0.000 |
2 |
|
A |
52 |
18 |
7201 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
45 |
16 |
7233 |
478.2 |
-0.6 |
0.578 |
2 |
2 |
0 |
0.000 |
Average: |
505.9 |
-1.0 |
0.539 |
3 |
3 |
0 |
0.000 |
2 |
3 |
|
[8KS]B:201 |
31 |
1 |
615 |
f |
B |
x,y,z |
1_555 |
58 |
27 |
7291 |
441.9 |
-2.2 |
0.291 |
2 |
0 |
0 |
0.014 |
4 |
|
[8KS]A:201 |
31 |
1 |
606 |
f |
A |
x,y,z |
1_555 |
61 |
27 |
7201 |
439.9 |
-2.5 |
0.295 |
2 |
0 |
0 |
0.014 |
5 |
|
[8KS]C:201 |
31 |
1 |
610 |
f |
C |
x,y,z |
1_555 |
61 |
27 |
7233 |
438.7 |
-2.3 |
0.291 |
2 |
0 |
0 |
0.014 |
Average: |
440.2 |
-2.3 |
0.292 |
2 |
0 |
0 |
0.014 |
3 |
6 |
|
[8KS]D:201 |
31 |
1 |
605 |
f |
D |
x,y,z |
1_555 |
62 |
27 |
7239 |
439.3 |
-3.0 |
0.296 |
2 |
0 |
0 |
0.013 |
4 |
7 |
|
C |
44 |
14 |
7233 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
7201 |
406.9 |
-1.7 |
0.440 |
1 |
2 |
0 |
0.000 |
8 |
|
A |
40 |
14 |
7201 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
38 |
12 |
7239 |
368.0 |
-2.9 |
0.309 |
1 |
2 |
0 |
0.000 |
Average: |
387.5 |
-2.3 |
0.375 |
1 |
2 |
0 |
0.000 |
5 |
9 |
|
D |
41 |
15 |
7239 |
◊ |
B |
x-1,y,z |
1_455 |
38 |
14 |
7291 |
383.0 |
-3.3 |
0.293 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
36 |
14 |
7201 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
38 |
14 |
7233 |
357.8 |
-3.1 |
0.308 |
0 |
0 |
0 |
0.000 |
Average: |
370.4 |
-3.2 |
0.300 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
B |
32 |
8 |
7291 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
8 |
7233 |
244.0 |
-7.0 |
0.029 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
20 |
9 |
7233 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
7291 |
202.2 |
0.9 |
0.597 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
D |
28 |
8 |
7239 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
21 |
6 |
7239 |
189.6 |
0.1 |
0.635 |
0 |
1 |
0 |
0.000 |
9 |
14 |
|
B |
22 |
9 |
7291 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
5 |
7291 |
163.8 |
0.2 |
0.606 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
A |
13 |
6 |
7201 |
x |
A |
-x,y-1/2,-z |
2_545 |
14 |
5 |
7201 |
126.6 |
1.1 |
0.484 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
8 |
4 |
7233 |
x |
D |
x,y,z-1 |
1_554 |
8 |
2 |
7239 |
57.4 |
-0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
Average: |
92.0 |
0.5 |
0.427 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7201 |
99.0 |
-14.8 |
0.759 |
2 |
0 |
0 |
0.052 |
12 |
18 |
|
[SO4]D:203 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
7239 |
97.1 |
-14.6 |
0.754 |
2 |
0 |
0 |
0.052 |
13 |
19 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
7239 |
76.8 |
-10.2 |
0.828 |
1 |
0 |
0 |
0.035 |
14 |
20 |
|
[SO4]B:202 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7291 |
75.6 |
-10.7 |
0.728 |
1 |
0 |
0 |
0.046 |
15 |
21 |
|
[SO4]A:202 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7201 |
74.2 |
-10.4 |
0.760 |
2 |
0 |
0 |
0.037 |
16 |
22 |
|
[SO4]C:202 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
7233 |
73.0 |
-9.9 |
0.777 |
2 |
0 |
0 |
0.049 |
17 |
23 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
7291 |
72.5 |
-9.6 |
0.790 |
1 |
0 |
0 |
0.041 |
18 |
24 |
|
A |
11 |
4 |
7201 |
◊ |
[SO4]A:202 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
184 |
65.9 |
-7.9 |
0.879 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
D |
8 |
3 |
7239 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7233 |
65.5 |
0.1 |
0.602 |
1 |
1 |
0 |
0.000 |
20 |
26 |
|
[SO4]C:203 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
7233 |
58.7 |
-7.6 |
0.764 |
1 |
0 |
0 |
0.036 |
21 |
27 |
|
C |
10 |
5 |
7233 |
◊ |
[SO4]D:202 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
52.9 |
-6.0 |
0.827 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
A |
1 |
1 |
7201 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7291 |
16.0 |
0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
1 |
1 |
7233 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7233 |
2.5 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
Average: |
9.2 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
B |
1 |
1 |
7291 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
7239 |
15.8 |
0.5 |
0.848 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
D |
2 |
1 |
7239 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7201 |
5.8 |
0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
B |
1 |
1 |
7291 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7201 |
2.0 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
A |
1 |
1 |
7201 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7239 |
1.8 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
C |
1 |
1 |
7233 |
◊ |
[SO4]B:203 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
1.7 |
-0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[8KS]D:201 |
1 |
1 |
605 |
f |
[SO4]D:203 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.2 |
-0.0 |
0.829 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[SO4]C:202 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7239 |
0.1 |
-0.0 |
0.806 |
0 |
0 |
0 |
0.000 |
|