| ## |
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 |
127 |
34 |
23002 |
◊ |
A |
x,y,z |
1_555 |
128 |
34 |
22584 |
1297.8 |
-8.4 |
0.330 |
15 |
4 |
0 |
0.152 |
2 |
|
D |
141 |
37 |
22873 |
◊ |
C |
x,y,z |
1_555 |
136 |
38 |
22970 |
1290.3 |
-8.4 |
0.336 |
11 |
2 |
0 |
0.152 |
| Average: |
1294.1 |
-8.4 |
0.333 |
13 |
3 |
0 |
0.152 |
| 2 |
3 |
|
D |
93 |
31 |
22873 |
◊ |
B |
x,x-y,-z |
6_555 |
80 |
18 |
23002 |
839.1 |
-11.3 |
0.077 |
6 |
0 |
0 |
0.000 |
4 |
|
C |
88 |
28 |
22970 |
◊ |
A |
-x+y+1,y,-z+1/3 |
5_655 |
78 |
18 |
22584 |
830.5 |
-9.4 |
0.146 |
9 |
1 |
0 |
0.000 |
5 |
|
C |
72 |
19 |
22970 |
◊ |
A |
-x+y,y,-z+1/3 |
5_555 |
85 |
26 |
22584 |
778.9 |
-11.1 |
0.078 |
8 |
0 |
0 |
0.000 |
6 |
|
D |
67 |
17 |
22873 |
◊ |
B |
x,x-y-1,-z |
6_545 |
87 |
26 |
23002 |
775.0 |
-11.9 |
0.034 |
6 |
0 |
0 |
0.000 |
| Average: |
805.9 |
-10.9 |
0.084 |
7 |
0 |
0 |
0.000 |
| 3 |
7 |
|
B |
59 |
15 |
23002 |
◊ |
B |
-x+y,y,-z+1/3 |
5_555 |
59 |
15 |
23002 |
569.4 |
6.2 |
0.950 |
16 |
8 |
0 |
0.000 |
8 |
|
A |
57 |
17 |
22584 |
◊ |
D |
-y,x-y-1,z+1/3 |
2_545 |
54 |
13 |
22873 |
504.8 |
2.8 |
0.859 |
8 |
2 |
0 |
0.000 |
| Average: |
537.1 |
4.5 |
0.904 |
12 |
5 |
0 |
0.000 |
| 4 |
9 |
|
D |
59 |
20 |
22873 |
◊ |
D |
-y,-x,-z-1/3 |
4_554 |
60 |
20 |
22873 |
496.9 |
-4.7 |
0.310 |
4 |
0 |
0 |
0.000 |
10 |
|
A |
49 |
17 |
22584 |
◊ |
A |
-y,-x,-z+2/3 |
4_555 |
48 |
16 |
22584 |
401.2 |
-2.7 |
0.467 |
4 |
0 |
0 |
0.000 |
| Average: |
449.1 |
-3.7 |
0.389 |
4 |
0 |
0 |
0.000 |
| 5 |
11 |
|
C |
21 |
9 |
22970 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
23002 |
163.9 |
-2.3 |
0.268 |
0 |
0 |
0 |
0.000 |
| 6 |
12 |
|
B |
18 |
6 |
23002 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
16 |
5 |
22970 |
135.5 |
-0.2 |
0.580 |
1 |
2 |
0 |
0.000 |
| 7 |
13 |
|
[SO4]D:803 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
22873 |
102.0 |
-14.0 |
0.868 |
5 |
0 |
0 |
0.121 |
| 8 |
14 |
|
[SO4]A:803 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
22584 |
94.3 |
-14.4 |
0.744 |
4 |
0 |
0 |
0.156 |
| 9 |
15 |
|
[SO4]C:803 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
22970 |
93.9 |
-14.0 |
0.816 |
5 |
0 |
0 |
0.121 |
| 10 |
16 |
|
[SO4]D:804 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
22873 |
93.0 |
-14.6 |
0.763 |
5 |
0 |
0 |
0.125 |
| 11 |
17 |
|
[SO4]A:801 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22584 |
92.7 |
-13.1 |
0.838 |
3 |
0 |
0 |
0.139 |
| 12 |
18 |
|
[SO4]C:802 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
22970 |
92.5 |
-13.3 |
0.788 |
3 |
0 |
0 |
0.109 |
| 13 |
19 |
|
[SO4]B:803 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
23002 |
91.9 |
-13.8 |
0.785 |
5 |
0 |
0 |
0.155 |
| 14 |
20 |
|
[SO4]B:801 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
23002 |
91.1 |
-12.9 |
0.801 |
4 |
0 |
0 |
0.142 |
| 15 |
21 |
|
[SO4]C:801 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
22970 |
82.8 |
-10.4 |
0.892 |
3 |
0 |
0 |
0.088 |
| 16 |
22 |
|
[SO4]D:802 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
22873 |
82.6 |
-9.2 |
0.952 |
5 |
0 |
0 |
0.085 |
| 17 |
23 |
|
[SO4]B:802 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23002 |
79.7 |
-10.9 |
0.828 |
5 |
0 |
0 |
0.127 |
| 18 |
24 |
|
[SO4]A:802 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
22584 |
79.5 |
-10.7 |
0.867 |
5 |
0 |
0 |
0.125 |
| 19 |
25 |
|
[SO4]D:802 |
5 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
22970 |
74.0 |
-10.0 |
0.758 |
2 |
0 |
0 |
0.081 |
| 20 |
26 |
|
[SO4]C:801 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
22873 |
70.7 |
-9.9 |
0.814 |
3 |
0 |
0 |
0.084 |
| 21 |
27 |
|
A |
11 |
5 |
22584 |
◊ |
[SO4]D:801 |
-y,x-y-1,z+1/3 |
2_545 |
5 |
1 |
184 |
69.5 |
-7.7 |
0.954 |
3 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[SO4]D:801 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
22873 |
66.4 |
-8.5 |
0.872 |
4 |
0 |
0 |
0.077 |
| 23 |
29 |
|
D |
9 |
4 |
22873 |
◊ |
D |
x,x-y-1,-z |
6_545 |
9 |
4 |
22873 |
52.5 |
1.7 |
0.865 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
C |
6 |
2 |
22970 |
◊ |
C |
x,x-y,-z |
6_555 |
6 |
2 |
22970 |
42.7 |
0.5 |
0.737 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[SO4]D:803 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22970 |
6.3 |
-0.7 |
0.801 |
0 |
0 |
0 |
0.005 |
| 26 |
32 |
|
A |
2 |
1 |
22584 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
3 |
2 |
22970 |
5.8 |
-0.2 |
0.491 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[SO4]B:801 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22584 |
3.3 |
-0.4 |
0.870 |
0 |
0 |
0 |
0.003 |
| 28 |
34 |
|
[SO4]C:802 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22873 |
2.2 |
-0.2 |
0.853 |
0 |
0 |
0 |
0.002 |
| 29 |
35 |
|
[SO4]A:801 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23002 |
0.7 |
-0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
|