| ## |
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 |
|
E |
209 |
58 |
18510 |
◊ |
B |
x,y,z |
1_555 |
214 |
60 |
18507 |
2052.1 |
-10.5 |
0.440 |
24 |
19 |
0 |
0.159 |
2 |
|
F |
206 |
59 |
18513 |
◊ |
C |
x,y,z |
1_555 |
205 |
57 |
18502 |
2004.1 |
-7.5 |
0.571 |
25 |
20 |
0 |
0.159 |
3 |
|
D |
203 |
57 |
18603 |
◊ |
A |
x,y,z |
1_555 |
200 |
57 |
18527 |
1974.2 |
-6.9 |
0.555 |
25 |
20 |
0 |
0.159 |
| Average: |
2010.2 |
-8.3 |
0.522 |
25 |
20 |
0 |
0.159 |
| 2 |
4 |
|
F |
86 |
24 |
18513 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
18527 |
804.2 |
-5.0 |
0.337 |
10 |
7 |
0 |
0.154 |
5 |
|
D |
88 |
27 |
18603 |
◊ |
C |
x,y,z |
1_555 |
78 |
19 |
18502 |
748.0 |
-2.7 |
0.510 |
12 |
7 |
0 |
0.154 |
6 |
|
E |
70 |
18 |
18510 |
◊ |
C |
x,y,z |
1_555 |
82 |
25 |
18502 |
743.8 |
-4.8 |
0.387 |
10 |
7 |
0 |
0.154 |
7 |
|
B |
74 |
18 |
18507 |
◊ |
A |
x,y,z |
1_555 |
78 |
25 |
18527 |
731.2 |
-2.9 |
0.443 |
13 |
7 |
0 |
0.154 |
8 |
|
F |
69 |
18 |
18513 |
◊ |
B |
x,y,z |
1_555 |
84 |
26 |
18507 |
725.6 |
-3.1 |
0.472 |
11 |
7 |
0 |
0.154 |
9 |
|
E |
77 |
22 |
18510 |
◊ |
D |
x,y,z |
1_555 |
70 |
16 |
18603 |
724.2 |
-2.9 |
0.448 |
10 |
7 |
0 |
0.154 |
| Average: |
746.2 |
-3.6 |
0.433 |
11 |
7 |
0 |
0.154 |
| 3 |
10 |
|
[ACO]B:501 |
47 |
1 |
951 |
f |
B |
x,y,z |
1_555 |
79 |
28 |
18507 |
609.1 |
0.6 |
0.787 |
21 |
0 |
0 |
0.137 |
11 |
|
[ACO]C:501 |
48 |
1 |
962 |
f |
C |
x,y,z |
1_555 |
78 |
27 |
18502 |
605.8 |
0.5 |
0.775 |
18 |
0 |
0 |
0.137 |
12 |
|
[ACO]D:501 |
48 |
1 |
945 |
f |
D |
x,y,z |
1_555 |
79 |
28 |
18603 |
604.3 |
0.4 |
0.785 |
19 |
0 |
0 |
0.137 |
13 |
|
[ACO]F:501 |
47 |
1 |
949 |
f |
F |
x,y,z |
1_555 |
79 |
27 |
18513 |
603.7 |
0.4 |
0.782 |
20 |
0 |
0 |
0.137 |
14 |
|
[ACO]E:501 |
49 |
1 |
952 |
f |
E |
x,y,z |
1_555 |
78 |
28 |
18510 |
603.2 |
0.3 |
0.773 |
19 |
0 |
0 |
0.137 |
15 |
|
[ACO]A:501 |
46 |
1 |
948 |
f |
A |
x,y,z |
1_555 |
80 |
28 |
18527 |
598.2 |
0.0 |
0.747 |
19 |
0 |
0 |
0.137 |
| Average: |
604.1 |
0.4 |
0.775 |
19 |
0 |
0 |
0.137 |
| 4 |
16 |
|
F |
57 |
14 |
18513 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
60 |
15 |
18603 |
583.7 |
-0.2 |
0.694 |
11 |
7 |
0 |
0.016 |
| 5 |
17 |
|
A |
43 |
14 |
18527 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
5 |
18510 |
302.0 |
-2.6 |
0.378 |
2 |
0 |
0 |
0.018 |
18 |
|
B |
28 |
6 |
18507 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
12 |
18502 |
279.7 |
-2.2 |
0.411 |
3 |
0 |
0 |
0.018 |
| Average: |
290.8 |
-2.4 |
0.394 |
3 |
0 |
0 |
0.018 |
| 6 |
19 |
|
B |
20 |
8 |
18507 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
18 |
6 |
18513 |
165.9 |
0.1 |
0.637 |
1 |
2 |
0 |
0.000 |
| 7 |
20 |
|
C |
15 |
4 |
18502 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
18507 |
160.2 |
1.9 |
0.829 |
0 |
0 |
0 |
0.000 |
21 |
|
F |
22 |
7 |
18513 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
18603 |
153.7 |
1.7 |
0.827 |
0 |
0 |
0 |
0.000 |
22 |
|
E |
17 |
5 |
18510 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
18527 |
146.5 |
2.1 |
0.867 |
0 |
0 |
0 |
0.000 |
| Average: |
153.5 |
1.9 |
0.841 |
0 |
0 |
0 |
0.000 |
| 8 |
23 |
|
A |
16 |
6 |
18527 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
18 |
7 |
18502 |
144.4 |
2.4 |
0.870 |
3 |
4 |
0 |
0.000 |
| 9 |
24 |
|
[ACO]A:501 |
16 |
1 |
948 |
◊ |
F |
x,y,z |
1_555 |
12 |
3 |
18513 |
109.1 |
1.2 |
0.457 |
1 |
0 |
0 |
0.000 |
25 |
|
[ACO]E:501 |
14 |
1 |
952 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
18502 |
95.3 |
1.3 |
0.512 |
1 |
0 |
0 |
0.000 |
26 |
|
[ACO]C:501 |
15 |
1 |
962 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
18603 |
94.5 |
1.6 |
0.576 |
1 |
0 |
0 |
0.000 |
27 |
|
[ACO]B:501 |
14 |
1 |
951 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
18527 |
94.4 |
1.8 |
0.529 |
2 |
0 |
0 |
0.000 |
28 |
|
[ACO]F:501 |
15 |
1 |
949 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
18507 |
91.2 |
1.6 |
0.532 |
2 |
0 |
0 |
0.000 |
29 |
|
[ACO]D:501 |
13 |
1 |
945 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
18510 |
86.1 |
1.5 |
0.561 |
1 |
0 |
0 |
0.000 |
| Average: |
95.1 |
1.5 |
0.528 |
1 |
0 |
0 |
0.000 |
| 10 |
30 |
|
D |
15 |
4 |
18603 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
9 |
3 |
18502 |
90.7 |
-1.7 |
0.247 |
0 |
0 |
0 |
0.000 |
| 11 |
31 |
|
[SO4]F:503 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
18513 |
87.4 |
-11.4 |
0.880 |
2 |
0 |
0 |
0.081 |
| 12 |
32 |
|
[SO4]C:502 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
18502 |
86.8 |
-12.0 |
0.742 |
3 |
0 |
0 |
0.088 |
| 13 |
33 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18507 |
86.4 |
-11.8 |
0.882 |
4 |
0 |
0 |
0.090 |
| 14 |
34 |
|
[SO4]B:503 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
18507 |
85.5 |
-11.7 |
0.746 |
3 |
0 |
0 |
0.086 |
| 15 |
35 |
|
[SO4]D:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
18603 |
83.8 |
-11.4 |
0.758 |
3 |
0 |
0 |
0.079 |
| 16 |
36 |
|
[SO4]F:502 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
18513 |
83.1 |
-11.6 |
0.738 |
3 |
0 |
0 |
0.085 |
| 17 |
37 |
|
[SO4]E:502 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
18510 |
80.8 |
-11.5 |
0.736 |
4 |
0 |
0 |
0.110 |
| 18 |
38 |
|
[SO4]A:504 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18527 |
80.5 |
-11.1 |
0.755 |
5 |
0 |
0 |
0.111 |
| 19 |
39 |
|
[SO4]C:504 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
18502 |
80.3 |
-11.2 |
0.872 |
3 |
0 |
0 |
0.082 |
| 20 |
40 |
|
[SO4]C:505 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
18502 |
79.6 |
-10.4 |
0.880 |
4 |
0 |
0 |
0.080 |
| 21 |
41 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18527 |
78.5 |
-11.0 |
0.837 |
2 |
0 |
0 |
0.099 |
| 22 |
42 |
|
[SO4]E:503 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
18510 |
77.3 |
-10.2 |
0.886 |
4 |
0 |
0 |
0.100 |
| 23 |
43 |
|
[SO4]D:503 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
18603 |
75.3 |
-10.1 |
0.870 |
2 |
0 |
0 |
0.069 |
| 24 |
44 |
|
[SO4]A:505 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
18527 |
72.7 |
-10.6 |
0.567 |
1 |
0 |
0 |
0.092 |
| 25 |
45 |
|
[SO4]E:504 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
18510 |
71.8 |
-10.3 |
0.507 |
1 |
0 |
0 |
0.090 |
| 26 |
46 |
|
[SO4]C:506 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
18513 |
71.0 |
-10.0 |
0.621 |
1 |
0 |
0 |
0.069 |
| 27 |
47 |
|
[SO4]B:506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
18527 |
70.0 |
-7.9 |
0.904 |
2 |
0 |
0 |
0.073 |
| 28 |
48 |
|
[SO4]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18507 |
69.8 |
-10.1 |
0.696 |
2 |
0 |
0 |
0.073 |
| 29 |
49 |
|
[SO4]A:503 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
18603 |
69.2 |
-9.7 |
0.594 |
1 |
0 |
0 |
0.063 |
| 30 |
50 |
|
B |
5 |
2 |
18507 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
18510 |
69.1 |
0.5 |
0.728 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
18507 |
68.6 |
-9.9 |
0.539 |
2 |
0 |
0 |
0.072 |
| 32 |
52 |
|
[SO4]C:503 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
18502 |
66.9 |
-9.4 |
0.712 |
0 |
0 |
0 |
0.062 |
| 33 |
53 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
18502 |
65.9 |
-7.8 |
0.872 |
1 |
0 |
0 |
0.054 |
| 34 |
54 |
|
[SO4]A:506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
18527 |
62.9 |
-7.3 |
0.900 |
3 |
0 |
0 |
0.072 |
| 35 |
55 |
|
[SO4]A:506 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
18510 |
62.4 |
-7.1 |
0.910 |
2 |
0 |
0 |
0.067 |
| 36 |
56 |
|
[SO4]B:507 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
18507 |
61.1 |
-6.7 |
0.899 |
1 |
0 |
0 |
0.013 |
| 37 |
57 |
|
[SO4]B:506 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
18510 |
60.7 |
-7.0 |
0.907 |
2 |
0 |
0 |
0.066 |
| 38 |
58 |
|
[SO4]D:502 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
18527 |
58.4 |
-6.7 |
0.873 |
3 |
0 |
0 |
0.050 |
| 39 |
59 |
|
[SO4]A:505 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
18603 |
54.2 |
-6.5 |
0.856 |
2 |
0 |
0 |
0.046 |
| 40 |
60 |
|
[SO4]C:503 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
18513 |
53.5 |
-6.7 |
0.878 |
1 |
0 |
0 |
0.047 |
| 41 |
61 |
|
[SO4]E:504 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
18507 |
53.3 |
-6.4 |
0.893 |
2 |
0 |
0 |
0.049 |
| 42 |
62 |
|
[SO4]B:507 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
18510 |
52.8 |
-5.0 |
0.922 |
2 |
0 |
0 |
0.033 |
| 43 |
63 |
|
[SO4]A:504 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
18603 |
52.3 |
-6.3 |
0.824 |
1 |
0 |
0 |
0.042 |
| 44 |
64 |
|
[SO4]C:506 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18502 |
52.3 |
-6.5 |
0.868 |
1 |
0 |
0 |
0.046 |
| 45 |
65 |
|
[SO4]A:503 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18527 |
51.9 |
-6.5 |
0.891 |
1 |
0 |
0 |
0.044 |
| 46 |
66 |
|
[SO4]B:502 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
18510 |
50.0 |
-6.0 |
0.901 |
3 |
0 |
0 |
0.048 |
| 47 |
67 |
|
[SO4]A:506 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
18603 |
46.5 |
-5.0 |
0.902 |
2 |
0 |
0 |
0.037 |
| 48 |
68 |
|
[SO4]E:502 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
18507 |
41.4 |
-5.5 |
0.664 |
1 |
0 |
0 |
0.039 |
| 49 |
69 |
|
[SO4]B:506 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18507 |
40.9 |
-4.1 |
0.944 |
1 |
0 |
0 |
0.023 |
| 50 |
70 |
|
[SO4]C:502 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
18513 |
40.5 |
-5.4 |
0.622 |
0 |
0 |
0 |
0.035 |
| 51 |
71 |
|
E |
3 |
1 |
18510 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
18603 |
40.0 |
0.5 |
0.787 |
1 |
0 |
0 |
0.000 |
| 52 |
72 |
|
[SO4]B:503 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
18510 |
38.8 |
-5.1 |
0.666 |
0 |
0 |
0 |
0.034 |
| 53 |
73 |
|
[SO4]F:502 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
18502 |
30.9 |
-3.7 |
0.719 |
0 |
0 |
0 |
0.025 |
| 54 |
74 |
|
E |
4 |
3 |
18510 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
3 |
18513 |
18.4 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
| 55 |
75 |
|
A |
2 |
1 |
18527 |
◊ |
[SO4]C:505 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
187 |
8.3 |
-1.2 |
0.544 |
0 |
0 |
0 |
0.000 |
|