## |
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 |
74 |
19 |
8585 |
◊ |
C |
x,y,z |
1_555 |
76 |
20 |
8604 |
702.9 |
-9.9 |
0.077 |
11 |
0 |
0 |
0.202 |
2 |
|
B |
75 |
19 |
8559 |
◊ |
A |
x,y,z |
1_555 |
76 |
20 |
8563 |
700.8 |
-10.1 |
0.073 |
12 |
0 |
0 |
0.202 |
Average: |
701.8 |
-10.0 |
0.075 |
12 |
0 |
0 |
0.202 |
2 |
3 |
|
[NAP]D:1200 |
46 |
1 |
873 |
f |
D |
x,y,z |
1_555 |
71 |
22 |
8585 |
569.3 |
-2.1 |
0.576 |
15 |
0 |
0 |
0.237 |
4 |
|
[NAP]C:1200 |
48 |
1 |
876 |
f |
C |
x,y,z |
1_555 |
68 |
22 |
8604 |
568.9 |
-2.0 |
0.572 |
15 |
0 |
0 |
0.237 |
5 |
|
[NAP]B:1200 |
48 |
1 |
874 |
f |
B |
x,y,z |
1_555 |
69 |
22 |
8559 |
566.4 |
-2.2 |
0.572 |
15 |
0 |
0 |
0.237 |
6 |
|
[NAP]A:1200 |
48 |
1 |
878 |
f |
A |
x,y,z |
1_555 |
68 |
22 |
8563 |
563.5 |
-2.1 |
0.575 |
16 |
0 |
0 |
0.237 |
Average: |
567.0 |
-2.1 |
0.574 |
15 |
0 |
0 |
0.237 |
3 |
7 |
|
D |
47 |
13 |
8585 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
45 |
18 |
8563 |
434.8 |
-2.8 |
0.392 |
3 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
45 |
17 |
8604 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
46 |
13 |
8559 |
421.3 |
-2.2 |
0.435 |
4 |
0 |
0 |
0.000 |
9 |
|
D |
42 |
15 |
8585 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
43 |
12 |
8604 |
366.7 |
-3.8 |
0.250 |
2 |
0 |
0 |
0.000 |
Average: |
394.0 |
-3.0 |
0.342 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
A |
46 |
13 |
8563 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
40 |
10 |
8559 |
396.3 |
-3.8 |
0.282 |
4 |
1 |
0 |
0.000 |
6 |
11 |
|
C |
41 |
12 |
8604 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
8559 |
344.3 |
-0.1 |
0.541 |
6 |
0 |
0 |
0.037 |
12 |
|
D |
34 |
10 |
8585 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
8563 |
330.0 |
-1.0 |
0.487 |
6 |
0 |
0 |
0.037 |
Average: |
337.2 |
-0.6 |
0.514 |
6 |
0 |
0 |
0.037 |
7 |
13 |
|
D |
25 |
8 |
8585 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
8559 |
238.9 |
4.7 |
0.950 |
8 |
8 |
0 |
0.000 |
8 |
14 |
|
D |
18 |
6 |
8585 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
9 |
8559 |
159.3 |
2.0 |
0.830 |
2 |
3 |
0 |
0.000 |
9 |
15 |
|
C |
21 |
6 |
8604 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
5 |
8563 |
157.8 |
0.7 |
0.673 |
1 |
2 |
0 |
0.000 |
10 |
16 |
|
B |
14 |
6 |
8559 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
7 |
8585 |
130.7 |
-0.1 |
0.536 |
0 |
1 |
0 |
0.000 |
17 |
|
A |
18 |
6 |
8563 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
6 |
8604 |
126.6 |
-0.4 |
0.448 |
0 |
2 |
0 |
0.000 |
Average: |
128.7 |
-0.3 |
0.492 |
0 |
2 |
0 |
0.000 |
11 |
18 |
|
[SO4]A:1196 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8563 |
80.0 |
-10.5 |
0.826 |
3 |
0 |
0 |
0.289 |
19 |
|
[SO4]C:1196 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
8604 |
79.4 |
-10.1 |
0.827 |
2 |
0 |
0 |
0.289 |
20 |
|
[SO4]B:1196 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8559 |
70.6 |
-9.4 |
0.723 |
2 |
0 |
0 |
0.289 |
21 |
|
[SO4]D:1196 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
8585 |
68.9 |
-9.4 |
0.714 |
2 |
0 |
0 |
0.289 |
Average: |
74.7 |
-9.8 |
0.772 |
2 |
0 |
0 |
0.289 |
12 |
22 |
|
[SO4]A:1196 |
4 |
1 |
185 |
f |
[NAP]A:1200 |
x,y,z |
1_555 |
13 |
1 |
878 |
67.3 |
-10.5 |
0.621 |
0 |
0 |
0 |
0.272 |
23 |
|
[SO4]D:1196 |
4 |
1 |
184 |
f |
[NAP]D:1200 |
x,y,z |
1_555 |
12 |
1 |
873 |
67.0 |
-10.2 |
0.617 |
0 |
0 |
0 |
0.272 |
24 |
|
[SO4]B:1196 |
4 |
1 |
183 |
f |
[NAP]B:1200 |
x,y,z |
1_555 |
13 |
1 |
874 |
66.8 |
-10.3 |
0.614 |
0 |
0 |
0 |
0.272 |
25 |
|
[SO4]C:1196 |
4 |
1 |
184 |
f |
[NAP]C:1200 |
x,y,z |
1_555 |
12 |
1 |
876 |
66.7 |
-10.2 |
0.610 |
0 |
0 |
0 |
0.272 |
Average: |
67.0 |
-10.3 |
0.616 |
0 |
0 |
0 |
0.272 |
13 |
26 |
|
C |
10 |
2 |
8604 |
◊ |
[NAP]A:1200 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
878 |
65.6 |
1.6 |
0.795 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
[SO4]C:1197 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
8585 |
43.5 |
-5.3 |
0.731 |
0 |
0 |
0 |
0.063 |
15 |
28 |
|
[SO4]C:1197 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8604 |
41.4 |
-3.2 |
0.978 |
3 |
0 |
0 |
0.054 |
16 |
29 |
|
[SO4]C:1197 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8563 |
40.8 |
-4.0 |
0.980 |
2 |
0 |
0 |
0.028 |
17 |
30 |
|
[SO4]C:1197 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8559 |
32.9 |
-4.4 |
0.718 |
0 |
0 |
0 |
0.025 |
18 |
31 |
|
A |
2 |
1 |
8563 |
◊ |
[NAP]C:1200 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
876 |
20.8 |
0.5 |
0.761 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAP]B:1200 |
2 |
1 |
874 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
8585 |
14.6 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
17.7 |
0.5 |
0.750 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
C |
2 |
1 |
8604 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8563 |
10.5 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
|