## |
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 |
|
F |
171 |
42 |
11075 |
◊ |
A |
x,y,z |
1_555 |
174 |
43 |
11573 |
1782.5 |
-28.3 |
0.080 |
17 |
3 |
0 |
0.440 |
2 |
|
E |
166 |
44 |
11426 |
◊ |
B |
x,y,z |
1_555 |
175 |
43 |
11509 |
1722.5 |
-29.1 |
0.035 |
16 |
2 |
0 |
0.440 |
3 |
|
D |
166 |
40 |
11750 |
◊ |
C |
x,y,z |
1_555 |
169 |
41 |
11490 |
1703.5 |
-26.6 |
0.039 |
18 |
3 |
0 |
0.440 |
Average: |
1736.2 |
-28.0 |
0.051 |
17 |
3 |
0 |
0.440 |
2 |
4 |
|
D |
65 |
20 |
11750 |
◊ |
A |
x,y,z |
1_555 |
61 |
18 |
11573 |
583.3 |
5.5 |
0.954 |
10 |
12 |
0 |
0.000 |
3 |
5 |
|
B |
53 |
16 |
11509 |
◊ |
C |
x-1,y,z |
1_455 |
56 |
18 |
11490 |
536.8 |
5.8 |
0.975 |
11 |
12 |
0 |
0.000 |
4 |
6 |
|
E |
54 |
13 |
11426 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
53 |
17 |
11573 |
518.0 |
-4.9 |
0.421 |
10 |
5 |
0 |
0.107 |
7 |
|
D |
50 |
17 |
11750 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
48 |
15 |
11509 |
478.1 |
-4.4 |
0.354 |
3 |
0 |
0 |
0.107 |
Average: |
498.1 |
-4.6 |
0.387 |
7 |
3 |
0 |
0.107 |
5 |
8 |
|
C |
47 |
16 |
11490 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
46 |
18 |
11573 |
454.0 |
-3.6 |
0.492 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
42 |
17 |
11750 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
46 |
13 |
11075 |
410.8 |
-5.7 |
0.406 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
19 |
5 |
11490 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
5 |
11075 |
184.1 |
-3.8 |
0.240 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
19 |
5 |
11509 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
18 |
5 |
11426 |
182.7 |
-3.8 |
0.170 |
0 |
0 |
0 |
0.000 |
Average: |
183.4 |
-3.8 |
0.205 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
F |
16 |
5 |
11075 |
◊ |
C |
x-1,y,z-1 |
1_454 |
18 |
8 |
11490 |
131.8 |
-2.0 |
0.490 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
12 |
4 |
11490 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
11573 |
120.5 |
-0.8 |
0.491 |
2 |
0 |
0 |
0.000 |
14 |
|
B |
12 |
5 |
11509 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
13 |
3 |
11509 |
116.9 |
0.3 |
0.623 |
2 |
0 |
0 |
0.000 |
Average: |
118.7 |
-0.2 |
0.557 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
11573 |
111.7 |
-12.9 |
0.917 |
3 |
0 |
0 |
0.152 |
11 |
16 |
|
[EDO]E:303 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
11426 |
109.5 |
3.9 |
0.590 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
E |
13 |
4 |
11426 |
x |
E |
-x,y-1/2,-z+2 |
2_547 |
13 |
4 |
11426 |
107.9 |
-1.0 |
0.478 |
1 |
0 |
0 |
0.000 |
18 |
|
D |
11 |
3 |
11750 |
x |
F |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
11075 |
100.1 |
-0.2 |
0.701 |
1 |
0 |
0 |
0.000 |
Average: |
104.0 |
-0.6 |
0.589 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[SO4]E:301 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
11426 |
104.3 |
-18.4 |
0.763 |
7 |
0 |
0 |
0.259 |
14 |
20 |
|
F |
15 |
4 |
11075 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
11509 |
103.6 |
-1.9 |
0.380 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
11750 |
103.2 |
-15.2 |
0.805 |
7 |
0 |
0 |
0.223 |
16 |
22 |
|
[SO4]A:301 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
11573 |
101.9 |
-16.0 |
0.766 |
7 |
0 |
0 |
0.204 |
17 |
23 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11509 |
97.6 |
-13.2 |
0.933 |
5 |
0 |
0 |
0.186 |
18 |
24 |
|
[SO4]D:302 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
11750 |
96.4 |
-14.2 |
0.865 |
4 |
0 |
0 |
0.195 |
19 |
25 |
|
[EDO]E:306 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
17 |
8 |
11426 |
96.3 |
2.8 |
0.316 |
5 |
0 |
0 |
0.000 |
20 |
26 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11573 |
95.8 |
-14.1 |
0.812 |
5 |
0 |
0 |
0.175 |
21 |
27 |
|
[SO4]C:301 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
11490 |
89.5 |
-12.7 |
0.934 |
3 |
0 |
0 |
0.172 |
22 |
28 |
|
[SO4]F:301 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
11075 |
89.0 |
-12.0 |
0.940 |
3 |
0 |
0 |
0.138 |
23 |
29 |
|
[SO4]E:302 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
11426 |
86.5 |
-12.3 |
0.847 |
4 |
0 |
0 |
0.169 |
24 |
30 |
|
[EDO]E:304 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
11426 |
78.2 |
1.9 |
0.291 |
2 |
0 |
0 |
0.000 |
25 |
31 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
11509 |
73.8 |
1.9 |
0.905 |
2 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]D:303 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
11750 |
71.5 |
2.5 |
0.317 |
3 |
0 |
0 |
0.000 |
27 |
33 |
|
[EDO]E:305 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
11426 |
69.7 |
2.4 |
0.326 |
4 |
0 |
0 |
0.000 |
28 |
34 |
|
B |
10 |
5 |
11509 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11573 |
68.0 |
-1.6 |
0.261 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
A |
x-1,y,z |
1_455 |
9 |
3 |
11573 |
66.0 |
2.3 |
0.310 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
B |
10 |
3 |
11509 |
◊ |
[EDO]A:303 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
63.0 |
2.3 |
0.296 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
F |
6 |
2 |
11075 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
11750 |
59.3 |
-0.3 |
0.601 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
7 |
2 |
11426 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
1 |
11490 |
53.3 |
0.6 |
0.752 |
1 |
0 |
0 |
0.000 |
Average: |
56.3 |
0.1 |
0.676 |
1 |
0 |
0 |
0.000 |
32 |
39 |
|
D |
6 |
4 |
11750 |
f |
[EDO]B:303 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
185 |
55.9 |
0.8 |
0.639 |
2 |
0 |
0 |
0.000 |
33 |
40 |
|
[EDO]D:303 |
4 |
1 |
184 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
11075 |
50.5 |
0.9 |
0.256 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[EDO]E:305 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11509 |
49.6 |
1.1 |
0.777 |
1 |
0 |
0 |
0.000 |
35 |
42 |
|
[EDO]D:303 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11490 |
49.6 |
0.9 |
0.268 |
1 |
0 |
0 |
0.000 |
36 |
43 |
|
[EDO]E:304 |
4 |
1 |
182 |
f |
A |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
4 |
11573 |
49.3 |
1.3 |
0.881 |
3 |
0 |
0 |
0.000 |
37 |
44 |
|
[EDO]E:305 |
4 |
1 |
182 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
9 |
3 |
11426 |
48.7 |
0.9 |
0.239 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[EDO]D:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
11750 |
46.2 |
1.4 |
0.889 |
1 |
0 |
0 |
0.000 |
39 |
46 |
|
[SO4]E:302 |
4 |
1 |
185 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
11490 |
44.0 |
-3.8 |
0.980 |
1 |
0 |
0 |
0.000 |
40 |
47 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
11509 |
40.6 |
1.3 |
0.916 |
1 |
0 |
0 |
0.000 |
41 |
48 |
|
C |
3 |
1 |
11490 |
◊ |
[SO4]A:302 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
185 |
40.2 |
-3.9 |
0.953 |
1 |
0 |
0 |
0.000 |
42 |
49 |
|
E |
7 |
3 |
11426 |
◊ |
[SO4]A:304 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
185 |
40.1 |
-5.2 |
0.734 |
0 |
0 |
0 |
0.055 |
43 |
50 |
|
B |
3 |
1 |
11509 |
◊ |
[SO4]B:301 |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
186 |
39.7 |
-3.5 |
0.968 |
1 |
0 |
0 |
0.000 |
44 |
51 |
|
[EDO]A:303 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
11573 |
38.4 |
1.5 |
0.978 |
3 |
0 |
0 |
0.000 |
45 |
52 |
|
[SO4]F:301 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11750 |
38.2 |
-3.4 |
0.964 |
2 |
0 |
0 |
0.000 |
46 |
53 |
|
F |
7 |
4 |
11075 |
◊ |
E |
x,y,z-1 |
1_554 |
7 |
5 |
11426 |
38.0 |
-0.7 |
0.529 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[SO4]E:302 |
3 |
1 |
185 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
11426 |
32.3 |
-3.5 |
0.789 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[SO4]D:302 |
3 |
1 |
186 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
11075 |
26.1 |
-2.3 |
0.981 |
1 |
0 |
0 |
0.000 |
49 |
56 |
|
E |
3 |
2 |
11426 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
4 |
2 |
11509 |
21.8 |
0.9 |
0.889 |
0 |
0 |
0 |
0.000 |
57 |
|
D |
1 |
1 |
11750 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11573 |
11.9 |
0.3 |
0.856 |
0 |
0 |
0 |
0.000 |
Average: |
16.9 |
0.6 |
0.872 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[EDO]B:302 |
1 |
1 |
184 |
f |
[EDO]A:303 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
12.7 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[EDO]E:306 |
2 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11509 |
9.8 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[EDO]D:304 |
1 |
1 |
184 |
f |
[SO4]D:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.8 |
-1.1 |
0.894 |
0 |
0 |
0 |
0.013 |
53 |
61 |
|
D |
2 |
1 |
11750 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
2 |
11426 |
8.4 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
[EDO]E:303 |
1 |
1 |
185 |
f |
[SO4]E:301 |
x,y,z |
1_555 |
2 |
1 |
185 |
6.7 |
-0.6 |
0.980 |
0 |
0 |
0 |
0.007 |
55 |
63 |
|
B |
2 |
1 |
11509 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
11573 |
6.1 |
0.4 |
0.853 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
C |
1 |
1 |
11490 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
11426 |
3.8 |
0.3 |
0.816 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
C |
2 |
1 |
11490 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11573 |
2.3 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[SO4]C:301 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11573 |
0.5 |
-0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
|