## |
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 |
213 |
61 |
11078 |
◊ |
A |
x,y,z |
1_555 |
196 |
56 |
11256 |
1872.2 |
-22.9 |
0.183 |
23 |
1 |
1 |
0.339 |
2 |
|
L |
203 |
57 |
10957 |
◊ |
H |
x,y,z |
1_555 |
200 |
54 |
11101 |
1737.6 |
-22.5 |
0.176 |
19 |
0 |
0 |
0.339 |
Average: |
1804.9 |
-22.7 |
0.179 |
21 |
1 |
1 |
0.339 |
2 |
3 |
|
A |
62 |
22 |
11256 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
62 |
22 |
11256 |
586.2 |
-5.6 |
0.539 |
8 |
0 |
0 |
0.056 |
3 |
4 |
|
H |
52 |
17 |
11101 |
◊ |
A |
x,y,z |
1_555 |
57 |
14 |
11256 |
445.2 |
-3.8 |
0.511 |
5 |
1 |
0 |
0.057 |
4 |
5 |
|
B |
48 |
18 |
11078 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
48 |
18 |
11078 |
412.0 |
-1.2 |
0.624 |
6 |
6 |
0 |
0.020 |
5 |
6 |
|
B |
38 |
10 |
11078 |
◊ |
H |
x,y,z |
1_555 |
44 |
16 |
11101 |
361.8 |
0.4 |
0.795 |
9 |
0 |
0 |
0.015 |
6 |
7 |
|
H |
37 |
10 |
11101 |
◊ |
H |
-x,y,-z |
3_555 |
37 |
10 |
11101 |
348.5 |
0.7 |
0.868 |
12 |
0 |
0 |
0.035 |
7 |
8 |
|
A |
36 |
9 |
11256 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
36 |
9 |
11256 |
345.1 |
0.6 |
0.894 |
10 |
0 |
0 |
0.025 |
8 |
9 |
|
B |
32 |
11 |
11078 |
◊ |
A |
x,-y+1,-z |
4_565 |
31 |
11 |
11256 |
285.1 |
-0.9 |
0.639 |
5 |
0 |
0 |
0.022 |
9 |
10 |
|
H |
36 |
11 |
11101 |
◊ |
H |
-x+1/2,-y+1/2,z |
6_555 |
36 |
11 |
11101 |
272.1 |
-3.0 |
0.521 |
1 |
0 |
0 |
0.034 |
10 |
11 |
|
[5GG]P:4 |
12 |
1 |
447 |
f |
H |
x,y,z |
1_555 |
31 |
12 |
11101 |
172.0 |
-2.0 |
0.678 |
2 |
0 |
0 |
0.057 |
11 |
12 |
|
[5GG]P:4 |
13 |
1 |
447 |
◊ |
L |
x,y,z |
1_555 |
26 |
8 |
10957 |
170.3 |
-1.8 |
0.672 |
2 |
0 |
0 |
0.030 |
12 |
13 |
|
L |
13 |
5 |
10957 |
◊ |
H |
-x,y,-z |
3_555 |
19 |
5 |
11101 |
129.0 |
-1.2 |
0.373 |
0 |
0 |
0 |
0.011 |
13 |
14 |
|
[EDO]H:302 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
11101 |
118.6 |
3.7 |
0.686 |
3 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11256 |
110.4 |
4.0 |
0.707 |
3 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
11078 |
105.9 |
2.9 |
0.499 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
L |
14 |
5 |
10957 |
◊ |
H |
-x+1/2,-y+1/2,z |
6_555 |
10 |
4 |
11101 |
105.3 |
-0.0 |
0.660 |
2 |
0 |
0 |
0.009 |
17 |
18 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11078 |
101.4 |
1.2 |
0.203 |
2 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:305 |
4 |
1 |
185 |
◊ |
A |
x,-y+1,-z |
4_565 |
15 |
8 |
11256 |
97.3 |
2.4 |
0.305 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:306 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11078 |
95.5 |
2.7 |
0.497 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
11256 |
94.6 |
2.0 |
0.234 |
2 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]B:308 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11078 |
91.4 |
-11.7 |
0.834 |
1 |
0 |
0 |
0.110 |
22 |
23 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11078 |
90.4 |
2.1 |
0.252 |
4 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]B:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
11078 |
89.0 |
2.5 |
0.284 |
3 |
0 |
0 |
0.000 |
24 |
25 |
|
[SO4]A:307 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11256 |
86.9 |
-13.4 |
0.811 |
3 |
0 |
0 |
0.193 |
25 |
26 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11256 |
86.6 |
2.6 |
0.324 |
4 |
0 |
0 |
0.000 |
26 |
27 |
|
H |
10 |
3 |
11101 |
x |
H |
x,y,z-1 |
1_554 |
13 |
4 |
11101 |
86.4 |
1.2 |
0.870 |
4 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]H:304 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
11101 |
85.3 |
1.9 |
0.291 |
3 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]H:301 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
15 |
7 |
11101 |
84.1 |
2.0 |
0.469 |
5 |
0 |
0 |
0.005 |
29 |
30 |
|
L |
10 |
3 |
10957 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11256 |
82.7 |
0.5 |
0.782 |
2 |
0 |
0 |
0.004 |
30 |
31 |
|
[SO4]H:306 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
11101 |
75.7 |
-11.0 |
0.766 |
4 |
0 |
0 |
0.249 |
31 |
32 |
|
[EDO]H:303 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
11101 |
74.7 |
1.9 |
0.298 |
1 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11078 |
73.9 |
1.8 |
0.260 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11256 |
73.4 |
1.5 |
0.840 |
4 |
0 |
0 |
0.004 |
34 |
35 |
|
[SO4]A:309 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11256 |
72.3 |
-10.7 |
0.795 |
2 |
0 |
0 |
0.152 |
35 |
36 |
|
B |
12 |
4 |
11078 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
6 |
2 |
11256 |
71.8 |
-0.9 |
0.433 |
0 |
0 |
0 |
0.007 |
36 |
37 |
|
[SO4]H:305 |
5 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
11101 |
69.9 |
-5.8 |
0.991 |
3 |
0 |
0 |
0.066 |
37 |
38 |
|
[SO4]L:301 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
11101 |
68.6 |
-8.2 |
0.715 |
1 |
0 |
0 |
0.168 |
38 |
39 |
|
[SO4]H:305 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11256 |
68.6 |
-8.3 |
0.703 |
1 |
0 |
0 |
0.115 |
39 |
40 |
|
[SO4]H:307 |
4 |
1 |
186 |
f |
[SO4]H:307 |
-x,y,-z |
3_555 |
4 |
1 |
186 |
66.9 |
-14.9 |
0.973 |
0 |
0 |
0 |
0.113 |
40 |
41 |
|
[SO4]A:306 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11256 |
66.7 |
-7.8 |
0.952 |
1 |
0 |
0 |
0.108 |
41 |
42 |
|
[SO4]A:305 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11256 |
65.5 |
-7.3 |
0.960 |
1 |
0 |
0 |
0.101 |
42 |
43 |
|
[SO4]L:302 |
5 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
10957 |
63.5 |
-7.5 |
0.925 |
2 |
0 |
0 |
0.078 |
43 |
44 |
|
[EDO]H:301 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
13 |
6 |
10957 |
63.4 |
1.2 |
0.232 |
1 |
0 |
0 |
0.000 |
44 |
45 |
|
[SO4]A:305 |
5 |
1 |
186 |
f |
[SO4]A:305 |
-x+1,-y+1,z |
2_665 |
5 |
1 |
186 |
62.9 |
-13.8 |
0.993 |
0 |
0 |
0 |
0.100 |
45 |
46 |
|
[SO4]L:302 |
4 |
1 |
185 |
f |
H |
-x+1/2,-y+1/2,z |
6_555 |
9 |
5 |
11101 |
62.2 |
-8.1 |
0.807 |
2 |
0 |
0 |
0.176 |
46 |
47 |
|
[SO4]A:308 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11256 |
61.0 |
-8.3 |
0.746 |
2 |
0 |
0 |
0.120 |
47 |
48 |
|
[SO4]B:307 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11078 |
59.5 |
-7.1 |
0.887 |
2 |
0 |
0 |
0.072 |
48 |
49 |
|
[SO4]H:307 |
5 |
1 |
186 |
◊ |
H |
-x,y,-z |
3_555 |
6 |
3 |
11101 |
54.7 |
-6.0 |
0.967 |
1 |
0 |
0 |
0.097 |
49 |
50 |
|
[SO4]H:307 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
11101 |
52.9 |
-5.3 |
0.965 |
1 |
0 |
0 |
0.087 |
50 |
51 |
|
[SO4]L:301 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
10957 |
52.7 |
-7.1 |
0.725 |
1 |
0 |
0 |
0.083 |
51 |
52 |
|
[EDO]H:303 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11256 |
50.2 |
2.0 |
0.320 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[5GG]P:4 |
9 |
1 |
447 |
f |
[SO4]P:101 |
x,y,z |
1_555 |
3 |
1 |
185 |
50.0 |
-7.2 |
0.852 |
0 |
0 |
0 |
0.140 |
53 |
54 |
|
[SO4]P:101 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
11101 |
49.4 |
-6.0 |
0.792 |
1 |
0 |
0 |
0.126 |
54 |
55 |
|
[SO4]A:305 |
5 |
1 |
186 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
7 |
3 |
11256 |
47.4 |
-4.7 |
0.966 |
1 |
0 |
0 |
0.067 |
55 |
56 |
|
[EDO]A:301 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11078 |
45.8 |
1.0 |
0.710 |
1 |
0 |
0 |
0.000 |
56 |
57 |
|
[SO4]A:309 |
4 |
1 |
185 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
6 |
3 |
11256 |
44.5 |
-4.5 |
0.979 |
1 |
0 |
0 |
0.064 |
57 |
58 |
|
[SO4]H:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
11078 |
43.2 |
-5.3 |
0.780 |
2 |
0 |
0 |
0.056 |
58 |
59 |
|
[SO4]A:309 |
4 |
1 |
185 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
3 |
1 |
11078 |
40.5 |
-4.5 |
0.754 |
0 |
0 |
0 |
0.032 |
59 |
60 |
|
[EDO]H:303 |
2 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
6 |
4 |
10957 |
39.8 |
0.9 |
0.839 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
[SO4]L:302 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11101 |
39.3 |
-4.9 |
0.804 |
1 |
0 |
0 |
0.104 |
61 |
62 |
|
[SO4]A:308 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
10957 |
39.1 |
-5.1 |
0.606 |
0 |
0 |
0 |
0.064 |
62 |
63 |
|
[EDO]A:303 |
2 |
1 |
185 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
2 |
11256 |
38.6 |
1.2 |
0.604 |
0 |
0 |
0 |
0.000 |
63 |
64 |
|
[SO4]B:307 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11256 |
38.2 |
-4.6 |
0.788 |
1 |
0 |
0 |
0.046 |
64 |
65 |
|
[SO4]P:101 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
10957 |
37.3 |
-4.4 |
0.836 |
0 |
0 |
0 |
0.049 |
65 |
66 |
|
[SO4]H:306 |
3 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
10957 |
33.2 |
-4.5 |
0.606 |
0 |
0 |
0 |
0.050 |
66 |
67 |
|
[EDO]B:304 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11256 |
30.6 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[SO4]B:307 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
11101 |
30.2 |
-3.6 |
0.788 |
1 |
0 |
0 |
0.017 |
68 |
69 |
|
[EDO]A:304 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11078 |
24.5 |
0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
69 |
70 |
|
[SO4]B:308 |
1 |
1 |
185 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
11078 |
17.3 |
-1.4 |
0.885 |
1 |
0 |
0 |
0.016 |
70 |
71 |
|
[SO4]A:306 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11078 |
15.8 |
-2.0 |
0.694 |
0 |
0 |
0 |
0.018 |
71 |
72 |
|
[EDO]A:303 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11078 |
4.9 |
0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
|