## |
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 |
251 |
70 |
19872 |
◊ |
C |
x,y,z |
1_555 |
252 |
72 |
19853 |
2458.8 |
-22.2 |
0.059 |
35 |
10 |
0 |
0.186 |
2 |
|
B |
244 |
71 |
19893 |
◊ |
A |
x,y,z |
1_555 |
240 |
71 |
19895 |
2439.2 |
-21.9 |
0.049 |
37 |
11 |
0 |
0.186 |
Average: |
2449.0 |
-22.0 |
0.054 |
36 |
11 |
0 |
0.186 |
2 |
3 |
|
D |
122 |
28 |
19872 |
◊ |
B |
x,y,z |
1_555 |
121 |
28 |
19893 |
1163.5 |
-2.6 |
0.584 |
12 |
12 |
0 |
0.055 |
4 |
|
C |
122 |
28 |
19853 |
◊ |
A |
x,y,z |
1_555 |
120 |
28 |
19895 |
1156.8 |
-2.5 |
0.582 |
12 |
12 |
0 |
0.055 |
Average: |
1160.2 |
-2.6 |
0.583 |
12 |
12 |
0 |
0.055 |
3 |
5 |
|
C |
115 |
34 |
19853 |
◊ |
B |
x,y,z |
1_555 |
116 |
34 |
19893 |
1024.3 |
-5.2 |
0.408 |
12 |
0 |
0 |
0.040 |
6 |
|
D |
115 |
34 |
19872 |
◊ |
A |
x,y,z |
1_555 |
110 |
33 |
19895 |
1021.1 |
-5.4 |
0.368 |
12 |
0 |
0 |
0.040 |
Average: |
1022.7 |
-5.3 |
0.388 |
12 |
0 |
0 |
0.040 |
4 |
7 |
|
B |
60 |
15 |
19893 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
57 |
15 |
19872 |
502.7 |
-8.2 |
0.076 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
53 |
16 |
19853 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
53 |
16 |
19853 |
484.4 |
-4.0 |
0.317 |
4 |
0 |
0 |
0.002 |
6 |
9 |
|
C |
38 |
8 |
19853 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
33 |
9 |
19895 |
298.1 |
-1.8 |
0.382 |
2 |
0 |
0 |
0.005 |
7 |
10 |
|
A |
20 |
8 |
19895 |
◊ |
C |
x,y,z-1 |
1_554 |
30 |
10 |
19853 |
182.5 |
-0.8 |
0.424 |
2 |
1 |
0 |
0.001 |
8 |
11 |
|
[GOL]C:2003 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
19853 |
151.3 |
-1.2 |
0.434 |
3 |
0 |
0 |
0.030 |
12 |
|
[GOL]A:2001 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
19895 |
150.6 |
-1.1 |
0.431 |
4 |
0 |
0 |
0.030 |
13 |
|
[GOL]B:2002 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
19893 |
149.9 |
-1.1 |
0.445 |
4 |
0 |
0 |
0.030 |
Average: |
150.6 |
-1.1 |
0.437 |
4 |
0 |
0 |
0.030 |
9 |
14 |
|
[GOL]D:2004 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
28 |
13 |
19872 |
150.3 |
-1.2 |
0.428 |
4 |
0 |
0 |
0.017 |
10 |
15 |
|
[SO4]D:3023 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
19872 |
82.0 |
-10.5 |
0.845 |
3 |
0 |
0 |
0.066 |
11 |
16 |
|
[SO4]A:3020 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19895 |
81.2 |
-10.2 |
0.916 |
5 |
0 |
0 |
0.069 |
12 |
17 |
|
[SO4]B:3021 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19893 |
79.0 |
-10.5 |
0.862 |
3 |
0 |
0 |
0.067 |
13 |
18 |
|
[SO4]C:3022 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19853 |
77.1 |
-9.5 |
0.929 |
3 |
0 |
0 |
0.061 |
14 |
19 |
|
[SO4]B:3024 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
19893 |
77.0 |
-11.0 |
0.710 |
2 |
0 |
0 |
0.067 |
15 |
20 |
|
[SO4]D:3026 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
19853 |
76.9 |
-11.1 |
0.629 |
1 |
0 |
0 |
0.055 |
16 |
21 |
|
[SO4]B:3024 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
19895 |
76.6 |
-11.1 |
0.605 |
1 |
0 |
0 |
0.053 |
17 |
22 |
|
[SO4]A:3025 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19895 |
76.5 |
-11.0 |
0.697 |
2 |
0 |
0 |
0.067 |
18 |
23 |
|
[SO4]A:3025 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
19893 |
76.4 |
-11.1 |
0.616 |
1 |
0 |
0 |
0.053 |
19 |
24 |
|
[SO4]D:3026 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
19872 |
76.4 |
-10.8 |
0.752 |
2 |
0 |
0 |
0.066 |
20 |
25 |
|
[SO4]C:3027 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
19853 |
76.3 |
-10.9 |
0.703 |
2 |
0 |
0 |
0.066 |
21 |
26 |
|
[SO4]C:3027 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
19872 |
76.3 |
-11.0 |
0.622 |
1 |
0 |
0 |
0.055 |
22 |
27 |
|
[SO4]B:3015 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19893 |
74.4 |
-8.9 |
0.966 |
4 |
0 |
0 |
0.060 |
23 |
28 |
|
[SO4]D:3016 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
19872 |
74.3 |
-8.9 |
0.967 |
4 |
0 |
0 |
0.060 |
24 |
29 |
|
[SO4]C:3013 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19853 |
74.1 |
-8.9 |
0.967 |
4 |
0 |
0 |
0.060 |
25 |
30 |
|
[SO4]A:3014 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
19895 |
72.9 |
-8.8 |
0.962 |
4 |
0 |
0 |
0.059 |
26 |
31 |
|
[SO4]A:3017 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19893 |
70.7 |
-6.9 |
0.951 |
2 |
0 |
0 |
0.044 |
27 |
32 |
|
[SO4]B:3004 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
19893 |
70.6 |
-9.2 |
0.854 |
1 |
0 |
0 |
0.054 |
28 |
33 |
|
[SO4]A:3002 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
19853 |
69.5 |
-8.9 |
0.861 |
1 |
0 |
0 |
0.052 |
29 |
34 |
|
[SO4]B:3018 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19895 |
69.4 |
-6.8 |
0.941 |
2 |
0 |
0 |
0.043 |
30 |
35 |
|
[SO4]A:3001 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
19895 |
69.0 |
-8.9 |
0.849 |
1 |
0 |
0 |
0.052 |
31 |
36 |
|
[SO4]B:3003 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
19872 |
68.9 |
-8.9 |
0.837 |
1 |
0 |
0 |
0.053 |
32 |
37 |
|
[SO4]C:3028 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
19853 |
66.9 |
-7.2 |
0.962 |
4 |
0 |
0 |
0.050 |
33 |
38 |
|
[SO4]B:3005 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19893 |
65.4 |
-8.3 |
0.859 |
2 |
0 |
0 |
0.051 |
34 |
39 |
|
[SO4]C:3007 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19853 |
65.0 |
-8.1 |
0.871 |
2 |
0 |
0 |
0.050 |
35 |
40 |
|
[SO4]C:3019 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
19872 |
64.9 |
-6.1 |
0.961 |
2 |
0 |
0 |
0.039 |
36 |
41 |
|
[SO4]A:3006 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19895 |
64.7 |
-8.0 |
0.857 |
2 |
0 |
0 |
0.050 |
42 |
|
[SO4]D:3008 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
19872 |
64.1 |
-8.0 |
0.860 |
2 |
0 |
0 |
0.050 |
Average: |
64.4 |
-8.0 |
0.858 |
2 |
0 |
0 |
0.050 |
37 |
43 |
|
[SO4]A:3011 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19895 |
59.1 |
-6.9 |
0.917 |
2 |
0 |
0 |
0.044 |
38 |
44 |
|
[SO4]C:3010 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19853 |
58.7 |
-6.7 |
0.918 |
2 |
0 |
0 |
0.042 |
39 |
45 |
|
[SO4]B:3009 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
19893 |
53.3 |
-5.9 |
0.929 |
2 |
0 |
0 |
0.038 |
40 |
46 |
|
[SO4]C:3028 |
4 |
1 |
185 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
19895 |
53.1 |
-7.4 |
0.695 |
2 |
0 |
0 |
0.015 |
41 |
47 |
|
[SO4]D:3012 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
19872 |
52.4 |
-5.6 |
0.930 |
2 |
0 |
0 |
0.036 |
42 |
48 |
|
[SO4]C:3019 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19853 |
45.0 |
-5.7 |
0.833 |
1 |
0 |
0 |
0.029 |
43 |
49 |
|
[SO4]B:3018 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19893 |
44.7 |
-5.5 |
0.837 |
1 |
0 |
0 |
0.027 |
44 |
50 |
|
[SO4]A:3014 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19853 |
44.1 |
-5.3 |
0.790 |
2 |
0 |
0 |
0.035 |
45 |
51 |
|
[SO4]A:3020 |
3 |
1 |
184 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
4 |
19853 |
41.9 |
-4.6 |
0.820 |
0 |
0 |
0 |
0.003 |
46 |
52 |
|
[SO4]A:3017 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19895 |
41.8 |
-5.1 |
0.826 |
2 |
0 |
0 |
0.027 |
47 |
53 |
|
[SO4]D:3016 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
19893 |
41.3 |
-4.9 |
0.796 |
1 |
0 |
0 |
0.030 |
48 |
54 |
|
[SO4]B:3015 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
19872 |
41.0 |
-5.1 |
0.748 |
0 |
0 |
0 |
0.029 |
49 |
55 |
|
[SO4]A:3001 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19853 |
40.9 |
-4.1 |
0.982 |
2 |
0 |
0 |
0.028 |
50 |
56 |
|
[SO4]C:3013 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
19895 |
40.7 |
-5.1 |
0.755 |
0 |
0 |
0 |
0.028 |
51 |
57 |
|
[SO4]B:3004 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19872 |
40.2 |
-3.9 |
0.981 |
2 |
0 |
0 |
0.027 |
52 |
58 |
|
[SO4]B:3003 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19893 |
39.9 |
-3.8 |
0.981 |
2 |
0 |
0 |
0.026 |
53 |
59 |
|
[SO4]A:3002 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19895 |
39.7 |
-3.7 |
0.980 |
2 |
0 |
0 |
0.026 |
54 |
60 |
|
[SO4]A:3017 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
19872 |
26.0 |
-2.6 |
0.957 |
0 |
0 |
0 |
0.015 |
55 |
61 |
|
[SO4]C:3019 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
19893 |
24.7 |
-2.2 |
0.973 |
0 |
0 |
0 |
0.013 |
56 |
62 |
|
[SO4]B:3018 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
19853 |
24.5 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.013 |
57 |
63 |
|
[SO4]C:3022 |
4 |
1 |
185 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
19895 |
19.5 |
-1.3 |
0.963 |
0 |
0 |
0 |
0.002 |
58 |
64 |
|
[SO4]B:3004 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19895 |
11.4 |
-1.2 |
0.827 |
0 |
0 |
0 |
0.006 |
59 |
65 |
|
[SO4]B:3003 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19853 |
11.2 |
-1.2 |
0.826 |
0 |
0 |
0 |
0.006 |
60 |
66 |
|
[SO4]A:3002 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19872 |
10.9 |
-1.2 |
0.903 |
0 |
0 |
0 |
0.006 |
61 |
67 |
|
[SO4]A:3001 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19893 |
10.4 |
-1.1 |
0.824 |
0 |
0 |
0 |
0.005 |
62 |
68 |
|
[SO4]C:3013 |
1 |
1 |
185 |
◊ |
[SO4]A:3001 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.5 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.022 |
69 |
|
[SO4]A:3014 |
1 |
1 |
185 |
◊ |
[SO4]A:3002 |
x,y,z |
1_555 |
1 |
1 |
184 |
7.7 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.022 |
Average: |
8.1 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.022 |
63 |
70 |
|
[SO4]B:3015 |
1 |
1 |
185 |
◊ |
[SO4]B:3003 |
x,y,z |
1_555 |
1 |
1 |
184 |
8.1 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.011 |
64 |
71 |
|
[SO4]D:3016 |
1 |
1 |
186 |
◊ |
[SO4]B:3004 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.1 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.011 |
|