## |
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 |
253 |
71 |
16176 |
◊ |
C |
x,y,z |
1_555 |
254 |
68 |
16298 |
2504.1 |
-12.2 |
0.479 |
39 |
19 |
0 |
0.160 |
2 |
2 |
|
C |
106 |
22 |
16298 |
◊ |
B |
x,y,z |
1_555 |
126 |
36 |
30296 |
1091.2 |
-14.1 |
0.110 |
9 |
0 |
0 |
0.094 |
3 |
|
D |
103 |
23 |
16176 |
◊ |
A |
x,y,z |
1_555 |
117 |
33 |
31246 |
1067.8 |
-12.8 |
0.118 |
9 |
0 |
0 |
0.094 |
Average: |
1079.5 |
-13.4 |
0.114 |
9 |
0 |
0 |
0.094 |
3 |
4 |
|
B |
100 |
24 |
30296 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
96 |
24 |
31246 |
826.9 |
-4.0 |
0.575 |
10 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
85 |
28 |
31246 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
83 |
28 |
30296 |
779.8 |
-10.5 |
0.155 |
3 |
0 |
0 |
0.053 |
5 |
6 |
|
A |
59 |
21 |
31246 |
◊ |
B |
x,y,z-1 |
1_554 |
46 |
20 |
30296 |
524.3 |
-2.7 |
0.506 |
3 |
4 |
0 |
0.000 |
6 |
7 |
|
D |
50 |
13 |
16176 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
30296 |
523.3 |
0.2 |
0.718 |
7 |
8 |
0 |
0.017 |
8 |
|
C |
50 |
14 |
16298 |
◊ |
A |
x,y,z |
1_555 |
63 |
17 |
31246 |
519.5 |
0.4 |
0.708 |
7 |
9 |
0 |
0.017 |
Average: |
521.4 |
0.3 |
0.713 |
7 |
9 |
0 |
0.017 |
7 |
9 |
|
B |
58 |
18 |
30296 |
◊ |
B |
-x,y,-z+1 |
2_556 |
59 |
18 |
30296 |
503.2 |
-3.5 |
0.530 |
4 |
2 |
0 |
0.000 |
8 |
10 |
|
[COA]A:1730 |
40 |
1 |
865 |
f |
A |
x,y,z |
1_555 |
59 |
25 |
31246 |
501.4 |
4.7 |
0.696 |
9 |
0 |
0 |
0.000 |
11 |
|
[COA]B:1731 |
40 |
1 |
843 |
f |
B |
x,y,z |
1_555 |
57 |
24 |
30296 |
482.3 |
5.0 |
0.729 |
7 |
0 |
0 |
0.000 |
Average: |
491.8 |
4.8 |
0.713 |
8 |
0 |
0 |
0.000 |
9 |
12 |
|
C |
27 |
11 |
16298 |
◊ |
C |
-x,y,-z |
2_555 |
27 |
11 |
16298 |
263.2 |
2.6 |
0.877 |
6 |
8 |
0 |
0.005 |
10 |
13 |
|
D |
33 |
12 |
16176 |
◊ |
D |
-x,y,-z |
2_555 |
33 |
12 |
16176 |
240.4 |
1.6 |
0.856 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[ADP]A:1731 |
21 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
31246 |
180.8 |
-1.6 |
0.635 |
2 |
0 |
0 |
0.014 |
12 |
15 |
|
[ADP]C:1414 |
16 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
30296 |
158.8 |
-3.9 |
0.514 |
3 |
0 |
0 |
0.023 |
13 |
16 |
|
[GOL]A:1729 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
31246 |
158.0 |
-2.1 |
0.341 |
0 |
0 |
0 |
0.012 |
14 |
17 |
|
[GOL]B:1730 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
26 |
15 |
30296 |
156.4 |
-2.1 |
0.340 |
1 |
0 |
0 |
0.012 |
15 |
18 |
|
[GOL]A:1728 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
31246 |
117.3 |
-1.3 |
0.403 |
0 |
0 |
0 |
0.007 |
16 |
19 |
|
[ADP]A:1731 |
18 |
1 |
559 |
◊ |
D |
x,y,z |
1_555 |
14 |
3 |
16176 |
114.0 |
-0.9 |
0.354 |
1 |
0 |
0 |
0.008 |
17 |
20 |
|
[ADP]C:1414 |
15 |
1 |
557 |
◊ |
C |
x,y,z |
1_555 |
14 |
3 |
16298 |
111.8 |
-1.3 |
0.357 |
1 |
0 |
0 |
0.007 |
18 |
21 |
|
[SO4]C:1408 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
16298 |
100.1 |
-14.5 |
0.775 |
4 |
0 |
0 |
0.130 |
19 |
22 |
|
[SO4]A:1723 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
31246 |
94.2 |
-13.8 |
0.900 |
6 |
0 |
0 |
0.093 |
20 |
23 |
|
[SO4]B:1721 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
30296 |
91.3 |
-13.7 |
0.622 |
2 |
0 |
0 |
0.066 |
21 |
24 |
|
[SO4]A:1721 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
31246 |
90.7 |
-13.7 |
0.577 |
2 |
0 |
0 |
0.082 |
22 |
25 |
|
[SO4]B:1729 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
30296 |
88.4 |
-14.2 |
0.637 |
4 |
0 |
0 |
0.072 |
23 |
26 |
|
[SO4]C:1409 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
16298 |
88.1 |
-11.9 |
0.812 |
3 |
0 |
0 |
0.106 |
24 |
27 |
|
[SO4]A:1727 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
31246 |
88.0 |
-12.0 |
0.832 |
4 |
0 |
0 |
0.077 |
25 |
28 |
|
[SO4]C:1412 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16298 |
87.7 |
-13.2 |
0.728 |
5 |
0 |
0 |
0.123 |
26 |
29 |
|
[SO4]D:1406 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
16176 |
86.6 |
-10.8 |
0.891 |
1 |
0 |
0 |
0.129 |
27 |
30 |
|
[SO4]A:1724 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
31246 |
84.8 |
-12.9 |
0.694 |
6 |
0 |
0 |
0.087 |
28 |
31 |
|
[SO4]D:1408 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
16176 |
81.1 |
-12.3 |
0.710 |
2 |
0 |
0 |
0.152 |
29 |
32 |
|
[SO4]A:1726 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
31246 |
80.4 |
-10.3 |
0.775 |
3 |
0 |
0 |
0.065 |
30 |
33 |
|
[SO4]B:1724 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
30296 |
79.8 |
-11.4 |
0.773 |
3 |
0 |
0 |
0.057 |
31 |
34 |
|
[SO4]C:1413 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
16298 |
79.3 |
-11.9 |
0.702 |
2 |
0 |
0 |
0.102 |
32 |
35 |
|
[SO4]C:1407 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
16298 |
76.7 |
-9.3 |
0.880 |
2 |
0 |
0 |
0.082 |
33 |
36 |
|
[SO4]C:1405 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
16298 |
75.9 |
-10.1 |
0.755 |
2 |
0 |
0 |
0.088 |
34 |
37 |
|
[SO4]D:1407 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
16176 |
73.8 |
-10.1 |
0.736 |
2 |
0 |
0 |
0.126 |
35 |
38 |
|
A |
12 |
6 |
31246 |
f |
[SO4]B:1725 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
186 |
71.3 |
-9.9 |
0.791 |
1 |
0 |
0 |
0.058 |
36 |
39 |
|
[SO4]B:1726 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
30296 |
71.2 |
-10.5 |
0.688 |
3 |
0 |
0 |
0.053 |
37 |
40 |
|
[SO4]B:1723 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
30296 |
69.2 |
-7.6 |
0.957 |
2 |
0 |
0 |
0.038 |
38 |
41 |
|
[SO4]B:1728 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
30296 |
68.8 |
-9.9 |
0.482 |
0 |
0 |
0 |
0.045 |
39 |
42 |
|
[SO4]B:1727 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
30296 |
68.7 |
-9.5 |
0.765 |
4 |
0 |
0 |
0.051 |
40 |
43 |
|
[SO4]C:1410 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16298 |
68.3 |
-7.8 |
0.962 |
4 |
0 |
0 |
0.076 |
41 |
44 |
|
[SO4]D:1409 |
5 |
1 |
185 |
f |
[SO4]D:1409 |
-x,y,-z |
2_555 |
5 |
1 |
185 |
66.8 |
-15.2 |
0.993 |
0 |
0 |
0 |
0.100 |
42 |
45 |
|
[SO4]D:1404 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
16176 |
63.9 |
-8.1 |
0.965 |
4 |
0 |
0 |
0.114 |
43 |
46 |
|
[SO4]B:1722 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
30296 |
62.4 |
-8.7 |
0.770 |
1 |
0 |
0 |
0.041 |
44 |
47 |
|
[SO4]A:1722 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
31246 |
61.7 |
-8.5 |
0.776 |
1 |
0 |
0 |
0.050 |
45 |
48 |
|
[SO4]C:1404 |
5 |
1 |
186 |
f |
C |
-x,y,-z |
2_555 |
10 |
3 |
16298 |
61.4 |
-8.2 |
0.703 |
2 |
0 |
0 |
0.073 |
46 |
49 |
|
[SO4]D:1405 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
16176 |
60.8 |
-7.7 |
0.891 |
3 |
0 |
0 |
0.103 |
47 |
50 |
|
[SO4]C:1406 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
16298 |
60.6 |
-7.4 |
0.917 |
2 |
0 |
0 |
0.066 |
48 |
51 |
|
[SO4]C:1404 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
16298 |
58.0 |
-7.0 |
0.878 |
2 |
0 |
0 |
0.063 |
49 |
52 |
|
[SO4]C:1411 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
16298 |
56.3 |
-6.3 |
0.911 |
3 |
0 |
0 |
0.061 |
50 |
53 |
|
[SO4]A:1725 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
31246 |
56.0 |
-6.2 |
0.923 |
2 |
0 |
0 |
0.040 |
51 |
54 |
|
[SO4]B:1725 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
30296 |
53.7 |
-6.5 |
0.850 |
1 |
0 |
0 |
0.031 |
52 |
55 |
|
D |
4 |
3 |
16176 |
◊ |
C |
-x,y,-z |
2_555 |
7 |
2 |
16298 |
48.1 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
[SO4]A:1722 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
16298 |
44.3 |
-4.3 |
0.952 |
1 |
0 |
0 |
0.010 |
54 |
57 |
|
[SO4]B:1722 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
16176 |
43.5 |
-4.5 |
0.947 |
1 |
0 |
0 |
0.011 |
55 |
58 |
|
[SO4]D:1404 |
4 |
1 |
187 |
◊ |
D |
-x,y,-z |
2_555 |
8 |
3 |
16176 |
43.1 |
-5.0 |
0.916 |
3 |
0 |
0 |
0.073 |
56 |
59 |
|
[SO4]D:1409 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
16176 |
42.5 |
-4.5 |
0.955 |
2 |
0 |
0 |
0.062 |
57 |
60 |
|
[SO4]D:1409 |
4 |
1 |
185 |
◊ |
D |
-x,y,-z |
2_555 |
7 |
3 |
16176 |
41.4 |
-4.3 |
0.956 |
2 |
0 |
0 |
0.060 |
58 |
61 |
|
[SO4]C:1412 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
30296 |
36.9 |
-4.6 |
0.290 |
0 |
0 |
0 |
0.019 |
59 |
62 |
|
C |
3 |
2 |
16298 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
1 |
30296 |
30.8 |
-0.7 |
0.274 |
0 |
0 |
0 |
0.000 |
60 |
63 |
|
A |
4 |
2 |
31246 |
◊ |
[SO4]B:1723 |
x,y,z-1 |
1_554 |
3 |
1 |
186 |
28.3 |
-2.9 |
0.941 |
1 |
0 |
0 |
0.000 |
61 |
64 |
|
[SO4]D:1409 |
3 |
1 |
185 |
◊ |
[SO4]D:1404 |
-x,y,-z |
2_555 |
2 |
1 |
187 |
17.3 |
-4.0 |
0.976 |
0 |
0 |
0 |
0.046 |
62 |
65 |
|
[SO4]D:1409 |
3 |
1 |
185 |
◊ |
[SO4]D:1404 |
x,y,z |
1_555 |
2 |
1 |
187 |
16.8 |
-3.9 |
0.976 |
0 |
0 |
0 |
0.045 |
63 |
66 |
|
[SO4]C:1408 |
2 |
1 |
187 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
30296 |
7.2 |
-0.9 |
0.712 |
0 |
0 |
0 |
0.000 |
64 |
67 |
|
[SO4]D:1408 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
31246 |
7.2 |
-1.0 |
0.461 |
0 |
0 |
0 |
0.006 |
65 |
68 |
|
[SO4]C:1410 |
2 |
1 |
187 |
◊ |
[SO4]C:1404 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.8 |
-1.6 |
0.876 |
0 |
0 |
0 |
0.013 |
66 |
69 |
|
[SO4]C:1407 |
1 |
1 |
186 |
f |
[SO4]C:1406 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.3 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.012 |
67 |
70 |
|
[SO4]A:1727 |
2 |
1 |
186 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
3 |
30296 |
6.2 |
-0.7 |
0.824 |
0 |
0 |
0 |
0.000 |
68 |
71 |
|
[SO4]C:1413 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
30296 |
4.9 |
-0.7 |
0.515 |
0 |
0 |
0 |
0.003 |
69 |
72 |
|
[SO4]D:1406 |
1 |
1 |
186 |
f |
[SO4]D:1405 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.4 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.009 |
|