| ## |
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 |
102 |
31 |
12820 |
◊ |
C |
x,y,z |
1_555 |
93 |
29 |
12894 |
894.1 |
-4.1 |
0.385 |
7 |
10 |
0 |
0.000 |
2 |
|
F |
94 |
32 |
12593 |
◊ |
E |
x,y,z |
1_555 |
89 |
29 |
12878 |
881.6 |
-4.9 |
0.290 |
10 |
6 |
0 |
0.000 |
3 |
|
B |
98 |
29 |
12648 |
◊ |
A |
x,y,z |
1_555 |
86 |
25 |
12660 |
837.5 |
-6.2 |
0.262 |
8 |
6 |
0 |
0.000 |
| Average: |
871.1 |
-5.0 |
0.313 |
8 |
7 |
0 |
0.000 |
| 2 |
4 |
|
[COA]A:301 |
44 |
1 |
985 |
f |
A |
x,y,z |
1_555 |
62 |
21 |
12660 |
518.0 |
0.7 |
0.392 |
10 |
0 |
0 |
0.017 |
5 |
|
[COA]C:301 |
44 |
1 |
976 |
f |
C |
x,y,z |
1_555 |
64 |
22 |
12894 |
509.2 |
0.3 |
0.414 |
10 |
0 |
0 |
0.017 |
6 |
|
[COA]F:301 |
44 |
1 |
992 |
f |
F |
x,y,z |
1_555 |
67 |
22 |
12593 |
508.6 |
-0.4 |
0.317 |
10 |
0 |
0 |
0.017 |
7 |
|
[COA]D:301 |
45 |
1 |
989 |
f |
D |
x,y,z |
1_555 |
65 |
21 |
12820 |
507.9 |
-0.7 |
0.350 |
10 |
0 |
0 |
0.017 |
8 |
|
[COA]E:301 |
44 |
1 |
955 |
f |
E |
x,y,z |
1_555 |
64 |
20 |
12878 |
506.5 |
1.0 |
0.419 |
7 |
0 |
0 |
0.017 |
9 |
|
[COA]B:301 |
43 |
1 |
950 |
f |
B |
x,y,z |
1_555 |
64 |
20 |
12648 |
491.3 |
0.6 |
0.400 |
9 |
0 |
0 |
0.017 |
| Average: |
506.9 |
0.2 |
0.382 |
9 |
0 |
0 |
0.017 |
| 3 |
10 |
|
C |
52 |
16 |
12894 |
◊ |
B |
x,y,z |
1_555 |
50 |
18 |
12648 |
475.8 |
-4.4 |
0.247 |
1 |
0 |
0 |
0.000 |
| 4 |
11 |
|
E |
51 |
19 |
12878 |
◊ |
C |
x,y,z-1 |
1_554 |
48 |
14 |
12894 |
457.0 |
-3.0 |
0.344 |
8 |
3 |
0 |
0.000 |
| 5 |
12 |
|
F |
44 |
15 |
12593 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
12648 |
379.3 |
-1.9 |
0.403 |
2 |
2 |
0 |
0.000 |
| 6 |
13 |
|
F |
25 |
6 |
12593 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
12660 |
242.2 |
-0.5 |
0.524 |
5 |
2 |
0 |
0.000 |
| 7 |
14 |
|
D |
20 |
10 |
12820 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
12648 |
173.1 |
0.7 |
0.671 |
2 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[COA]F:301 |
15 |
1 |
992 |
◊ |
E |
x,y,z |
1_555 |
18 |
5 |
12878 |
143.7 |
1.5 |
0.632 |
1 |
0 |
0 |
0.000 |
16 |
|
[COA]D:301 |
14 |
1 |
989 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
12894 |
140.0 |
1.8 |
0.662 |
3 |
0 |
0 |
0.000 |
17 |
|
[COA]A:301 |
14 |
1 |
985 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12648 |
134.8 |
2.3 |
0.688 |
1 |
0 |
0 |
0.000 |
18 |
|
[COA]B:301 |
15 |
1 |
950 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
12660 |
134.1 |
1.8 |
0.672 |
3 |
0 |
0 |
0.000 |
19 |
|
[COA]E:301 |
14 |
1 |
955 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
12593 |
133.4 |
1.8 |
0.660 |
3 |
0 |
0 |
0.000 |
20 |
|
[COA]C:301 |
14 |
1 |
976 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
12820 |
128.4 |
2.0 |
0.692 |
2 |
0 |
0 |
0.000 |
| Average: |
135.7 |
1.9 |
0.668 |
2 |
0 |
0 |
0.000 |
| 9 |
21 |
|
D |
22 |
7 |
12820 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
13 |
4 |
12660 |
128.8 |
-0.8 |
0.462 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12648 |
87.2 |
-12.8 |
0.799 |
5 |
0 |
0 |
0.028 |
| 11 |
23 |
|
D |
12 |
4 |
12820 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
12 |
3 |
12648 |
85.9 |
-1.2 |
0.367 |
0 |
0 |
0 |
0.000 |
| 12 |
24 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12660 |
85.0 |
-12.4 |
0.829 |
4 |
0 |
0 |
0.033 |
| 13 |
25 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12894 |
77.9 |
-10.9 |
0.716 |
1 |
0 |
0 |
0.039 |
| 14 |
26 |
|
[SO4]E:302 |
5 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
12878 |
77.8 |
-10.4 |
0.729 |
1 |
0 |
0 |
0.039 |
| 15 |
27 |
|
[SO4]A:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12660 |
73.9 |
-10.1 |
0.702 |
1 |
0 |
0 |
0.025 |
| 16 |
28 |
|
[SO4]D:302 |
5 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
12820 |
73.7 |
-10.0 |
0.666 |
2 |
0 |
0 |
0.034 |
| 17 |
29 |
|
[SO4]B:302 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12648 |
73.1 |
-9.7 |
0.698 |
1 |
0 |
0 |
0.019 |
| 18 |
30 |
|
[SO4]F:302 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
12593 |
71.4 |
-9.6 |
0.650 |
1 |
0 |
0 |
0.035 |
| 19 |
31 |
|
[SO4]B:306 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12648 |
71.0 |
-9.3 |
0.824 |
2 |
0 |
0 |
0.019 |
| 20 |
32 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12660 |
70.4 |
-9.7 |
0.636 |
3 |
0 |
0 |
0.026 |
| 21 |
33 |
|
[SO4]E:304 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
12878 |
69.1 |
-9.2 |
0.745 |
1 |
0 |
0 |
0.035 |
| 22 |
34 |
|
[SO4]B:304 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12648 |
67.1 |
-9.3 |
0.512 |
1 |
0 |
0 |
0.018 |
| 23 |
35 |
|
[SO4]C:304 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
12894 |
66.3 |
-8.9 |
0.721 |
1 |
0 |
0 |
0.032 |
| 24 |
36 |
|
[SO4]D:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12820 |
64.5 |
-8.6 |
0.557 |
2 |
0 |
0 |
0.030 |
| 25 |
37 |
|
[SO4]F:303 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
12593 |
55.4 |
-6.7 |
0.858 |
3 |
0 |
0 |
0.028 |
| 26 |
38 |
|
[SO4]D:303 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
12820 |
52.3 |
-5.3 |
0.952 |
2 |
0 |
0 |
0.019 |
| 27 |
39 |
|
[SO4]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12648 |
46.8 |
-4.5 |
0.958 |
2 |
0 |
0 |
0.010 |
| 28 |
40 |
|
[SO4]E:303 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
12878 |
43.7 |
-4.6 |
0.937 |
1 |
0 |
0 |
0.018 |
| 29 |
41 |
|
[SO4]F:304 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
12593 |
42.8 |
-5.0 |
0.955 |
1 |
0 |
0 |
0.019 |
| 30 |
42 |
|
[SO4]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12894 |
36.6 |
-3.7 |
0.894 |
1 |
0 |
0 |
0.014 |
| 31 |
43 |
|
[SO4]A:305 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12660 |
33.1 |
-3.5 |
0.875 |
0 |
0 |
0 |
0.008 |
| 32 |
44 |
|
[SO4]B:305 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12593 |
32.8 |
-3.7 |
0.912 |
1 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[SO4]D:303 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
12894 |
21.0 |
-2.3 |
0.856 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[SO4]A:302 |
1 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12593 |
15.8 |
-2.2 |
0.336 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
A |
4 |
1 |
12660 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
12820 |
13.6 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
[SO4]F:303 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12648 |
11.3 |
-1.3 |
0.740 |
0 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[SO4]F:304 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12878 |
9.8 |
-1.2 |
0.756 |
0 |
0 |
0 |
0.000 |
| 38 |
50 |
|
[SO4]C:303 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12820 |
8.1 |
-0.8 |
0.899 |
0 |
0 |
0 |
0.000 |
| 39 |
51 |
|
[SO4]C:302 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12648 |
3.8 |
-0.4 |
0.882 |
0 |
0 |
0 |
0.000 |
|