## |
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 |
83 |
20 |
11075 |
◊ |
A |
-y,x+1,z-1/4 |
3_564 |
71 |
23 |
11137 |
704.0 |
-2.2 |
0.508 |
6 |
6 |
0 |
0.000 |
2 |
|
D |
76 |
23 |
11019 |
◊ |
C |
-y,x,z-1/4 |
3_554 |
82 |
20 |
11242 |
692.6 |
-2.6 |
0.479 |
6 |
5 |
0 |
0.000 |
Average: |
698.3 |
-2.4 |
0.493 |
6 |
6 |
0 |
0.000 |
2 |
3 |
|
D |
46 |
15 |
11019 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
11075 |
450.5 |
-5.0 |
0.171 |
4 |
0 |
0 |
0.006 |
4 |
|
C |
48 |
16 |
11242 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
11137 |
439.9 |
-5.2 |
0.160 |
4 |
0 |
0 |
0.006 |
Average: |
445.2 |
-5.1 |
0.165 |
4 |
0 |
0 |
0.006 |
3 |
5 |
|
D |
52 |
16 |
11019 |
◊ |
C |
x,y,z |
1_555 |
47 |
12 |
11242 |
413.5 |
-2.1 |
0.440 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
35 |
10 |
11075 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
11137 |
341.8 |
-3.5 |
0.263 |
1 |
0 |
0 |
0.000 |
Average: |
377.6 |
-2.8 |
0.351 |
2 |
0 |
0 |
0.000 |
4 |
7 |
|
D |
34 |
8 |
11019 |
◊ |
A |
-x,-y+1,z-1/2 |
2_564 |
31 |
8 |
11137 |
282.4 |
-1.6 |
0.420 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
30 |
9 |
11019 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
11137 |
257.6 |
-0.7 |
0.525 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
18 |
6 |
11242 |
◊ |
B |
-x,-y+1,z-1/2 |
2_564 |
18 |
7 |
11075 |
174.9 |
-0.8 |
0.469 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
11075 |
110.4 |
-19.9 |
0.659 |
6 |
0 |
0 |
0.041 |
8 |
11 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
11242 |
109.1 |
-19.8 |
0.652 |
5 |
0 |
0 |
0.040 |
9 |
12 |
|
[SO4]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11137 |
63.5 |
-7.7 |
0.894 |
2 |
0 |
0 |
0.029 |
10 |
13 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
11019 |
63.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.030 |
14 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
11075 |
63.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.030 |
15 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
11242 |
62.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
63.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.030 |
11 |
16 |
|
[SO4]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
11242 |
63.0 |
-7.7 |
0.893 |
2 |
0 |
0 |
0.016 |
12 |
17 |
|
[SO4]B:303 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11075 |
62.6 |
-7.5 |
0.897 |
2 |
0 |
0 |
0.015 |
13 |
18 |
|
[SO4]D:303 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
11019 |
61.6 |
-7.4 |
0.894 |
2 |
0 |
0 |
0.020 |
14 |
19 |
|
[SO4]C:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11137 |
59.4 |
-8.5 |
0.605 |
0 |
0 |
0 |
0.029 |
15 |
20 |
|
[SO4]B:305 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
11019 |
56.5 |
-7.9 |
0.621 |
0 |
0 |
0 |
0.019 |
16 |
21 |
|
[SO4]B:305 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
11075 |
46.0 |
-5.9 |
0.713 |
0 |
0 |
0 |
0.005 |
17 |
22 |
|
[CA]D:301 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
11019 |
44.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.042 |
23 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11137 |
44.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.042 |
24 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11075 |
44.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.042 |
25 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
11242 |
44.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
44.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.042 |
18 |
26 |
|
[SO4]C:305 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11242 |
36.3 |
-4.0 |
0.778 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
D |
6 |
2 |
11019 |
◊ |
[SO4]C:305 |
-x,-y+1,z-1/2 |
2_564 |
3 |
1 |
184 |
21.8 |
-2.6 |
0.763 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[SO4]B:305 |
3 |
1 |
186 |
◊ |
A |
-x,-y+1,z-1/2 |
2_564 |
3 |
2 |
11137 |
10.4 |
-1.0 |
0.825 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
C |
1 |
1 |
11242 |
x |
C |
-y,x,z-1/4 |
3_554 |
1 |
1 |
11242 |
0.4 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|