| ## |
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 |
127 |
35 |
10675 |
◊ |
B |
x,y,z |
1_555 |
128 |
35 |
10639 |
1156.2 |
-7.7 |
0.259 |
9 |
12 |
0 |
0.166 |
2 |
|
D |
124 |
33 |
10738 |
◊ |
A |
x,y,z |
1_555 |
128 |
35 |
10893 |
1122.4 |
-6.4 |
0.296 |
9 |
9 |
0 |
0.166 |
| Average: |
1139.3 |
-7.0 |
0.277 |
9 |
11 |
0 |
0.166 |
| 2 |
3 |
|
D |
90 |
28 |
10738 |
◊ |
C |
x,y,z |
1_555 |
97 |
28 |
10675 |
915.9 |
-4.1 |
0.339 |
12 |
0 |
0 |
0.085 |
4 |
|
B |
98 |
29 |
10639 |
◊ |
A |
x,y,z |
1_555 |
95 |
28 |
10893 |
912.3 |
-3.2 |
0.468 |
12 |
0 |
0 |
0.085 |
| Average: |
914.1 |
-3.7 |
0.404 |
12 |
0 |
0 |
0.085 |
| 3 |
5 |
|
B |
41 |
10 |
10639 |
◊ |
C |
x-1/2,-y-1/2,-z-1 |
4_444 |
59 |
20 |
10675 |
430.6 |
-7.9 |
0.049 |
1 |
0 |
0 |
0.110 |
| 4 |
6 |
|
B |
43 |
13 |
10639 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
38 |
14 |
10893 |
377.3 |
-2.6 |
0.373 |
4 |
2 |
0 |
0.002 |
| 5 |
7 |
|
A |
36 |
14 |
10893 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
32 |
10 |
10893 |
326.7 |
2.6 |
0.765 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
33 |
13 |
10675 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
7 |
10893 |
302.0 |
-4.2 |
0.076 |
2 |
0 |
0 |
0.002 |
| 7 |
9 |
|
C |
32 |
8 |
10675 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
40 |
13 |
10738 |
286.7 |
-5.2 |
0.049 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
7 |
3 |
10639 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
3 |
10738 |
91.2 |
0.3 |
0.555 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[SO4]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10639 |
70.9 |
-9.8 |
0.606 |
1 |
0 |
0 |
0.135 |
| 10 |
12 |
|
[SO4]C:303 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
10738 |
70.2 |
-10.5 |
0.629 |
2 |
0 |
0 |
0.102 |
| 11 |
13 |
|
[SO4]C:301 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
10675 |
69.5 |
-9.6 |
0.788 |
0 |
0 |
0 |
0.126 |
| 12 |
14 |
|
[SO4]D:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
10675 |
69.4 |
-8.5 |
0.855 |
3 |
0 |
0 |
0.130 |
| 13 |
15 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10893 |
67.1 |
-7.9 |
0.907 |
3 |
0 |
0 |
0.091 |
| 14 |
16 |
|
[SO4]D:306 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10738 |
64.8 |
-8.6 |
0.651 |
0 |
0 |
0 |
0.077 |
| 15 |
17 |
|
[SO4]C:306 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
10675 |
63.7 |
-8.8 |
0.565 |
2 |
0 |
0 |
0.128 |
| 16 |
18 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
10738 |
63.3 |
-8.2 |
0.774 |
1 |
0 |
0 |
0.077 |
| 17 |
19 |
|
[SO4]A:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
10639 |
63.2 |
-7.2 |
0.905 |
4 |
0 |
0 |
0.089 |
| 18 |
20 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10893 |
62.7 |
-8.7 |
0.720 |
1 |
0 |
0 |
0.091 |
| 19 |
21 |
|
[SO4]A:307 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10893 |
62.2 |
-7.7 |
0.846 |
1 |
0 |
0 |
0.081 |
| 20 |
22 |
|
[SO4]A:302 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10893 |
61.4 |
-8.2 |
0.790 |
1 |
0 |
0 |
0.086 |
| 21 |
23 |
|
[SO4]C:303 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
10675 |
60.3 |
-6.6 |
0.904 |
2 |
0 |
0 |
0.067 |
| 22 |
24 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10639 |
57.7 |
-7.5 |
0.759 |
3 |
0 |
0 |
0.116 |
| 23 |
25 |
|
[SO4]B:301 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10893 |
57.2 |
-7.9 |
0.635 |
2 |
0 |
0 |
0.088 |
| 24 |
26 |
|
[SO4]D:301 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
10738 |
55.3 |
-7.6 |
0.597 |
1 |
0 |
0 |
0.072 |
| 25 |
27 |
|
[SO4]D:305 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
10738 |
54.3 |
-7.3 |
0.576 |
2 |
0 |
0 |
0.073 |
| 26 |
28 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10738 |
53.6 |
-7.2 |
0.788 |
1 |
0 |
0 |
0.069 |
| 27 |
29 |
|
B |
9 |
3 |
10639 |
f |
[SO4]C:302 |
x-1/2,-y-1/2,-z-1 |
4_444 |
5 |
1 |
185 |
53.5 |
-7.0 |
0.556 |
0 |
0 |
0 |
0.092 |
| 28 |
30 |
|
[SO4]C:304 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10675 |
52.1 |
-6.7 |
0.736 |
1 |
0 |
0 |
0.094 |
| 29 |
31 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10893 |
43.3 |
-6.1 |
0.735 |
1 |
0 |
0 |
0.065 |
| 30 |
32 |
|
[NH4]A:306 |
1 |
1 |
117 |
cf |
[SO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
185 |
42.4 |
-4.9 |
0.999 |
0 |
0 |
0 |
0.048 |
| 31 |
33 |
|
[SO4]D:304 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
10738 |
39.9 |
-4.9 |
0.890 |
0 |
0 |
0 |
0.043 |
| 32 |
34 |
|
[SO4]D:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
10893 |
38.0 |
-4.8 |
0.602 |
0 |
0 |
0 |
0.040 |
| 33 |
35 |
|
[SO4]C:302 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
10675 |
35.7 |
-3.5 |
0.922 |
1 |
0 |
0 |
0.052 |
| 34 |
36 |
|
[SO4]C:301 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
10639 |
32.8 |
-4.2 |
0.553 |
0 |
0 |
0 |
0.051 |
| 35 |
37 |
|
[SO4]A:302 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
10738 |
31.2 |
-4.4 |
0.556 |
0 |
0 |
0 |
0.037 |
| 36 |
38 |
|
[SO4]C:302 |
4 |
1 |
185 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
10893 |
31.2 |
-2.2 |
0.976 |
1 |
0 |
0 |
0.001 |
| 37 |
39 |
|
D |
4 |
2 |
10738 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
10893 |
22.0 |
0.6 |
0.695 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[NH4]A:305 |
1 |
1 |
117 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
185 |
21.1 |
-2.0 |
0.999 |
0 |
0 |
0 |
0.019 |
| 39 |
41 |
|
[NH4]A:306 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
10893 |
13.2 |
0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[SO4]C:305 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
10675 |
10.2 |
-1.2 |
0.570 |
0 |
0 |
0 |
0.016 |
| 41 |
43 |
|
D |
1 |
1 |
10738 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10639 |
4.9 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
1 |
1 |
10675 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10893 |
2.6 |
0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
3.7 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[SO4]D:302 |
1 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
10893 |
4.2 |
-0.6 |
0.629 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
C |
1 |
1 |
10675 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
10893 |
2.7 |
0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[SO4]A:302 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10639 |
2.6 |
-0.1 |
0.865 |
0 |
0 |
0 |
0.001 |
| 45 |
48 |
|
[NH4]A:306 |
1 |
1 |
117 |
f |
[NH4]A:305 |
x,y,z |
1_555 |
1 |
1 |
117 |
2.0 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
B |
1 |
1 |
10639 |
◊ |
[SO4]C:306 |
x-1/2,-y-1/2,-z-1 |
4_444 |
1 |
1 |
184 |
1.9 |
-0.2 |
0.870 |
0 |
0 |
0 |
0.003 |
|