## |
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 |
240 |
70 |
20052 |
◊ |
A |
x,y,z |
1_555 |
238 |
70 |
20069 |
2357.2 |
-25.3 |
0.030 |
34 |
8 |
0 |
0.202 |
2 |
|
D |
240 |
69 |
19957 |
◊ |
C |
x,y,z |
1_555 |
236 |
69 |
19915 |
2356.2 |
-26.0 |
0.027 |
34 |
8 |
0 |
0.202 |
Average: |
2356.7 |
-25.7 |
0.028 |
34 |
8 |
0 |
0.202 |
2 |
3 |
|
D |
121 |
28 |
19957 |
◊ |
B |
x,y,z |
1_555 |
121 |
28 |
20052 |
1167.5 |
-3.0 |
0.607 |
12 |
11 |
0 |
0.055 |
4 |
|
C |
120 |
28 |
19915 |
◊ |
A |
x,y,z |
1_555 |
118 |
28 |
20069 |
1162.1 |
-2.5 |
0.628 |
12 |
12 |
0 |
0.055 |
Average: |
1164.8 |
-2.8 |
0.617 |
12 |
12 |
0 |
0.055 |
3 |
5 |
|
D |
112 |
33 |
19957 |
◊ |
A |
x,y,z |
1_555 |
112 |
33 |
20069 |
998.3 |
-6.1 |
0.370 |
12 |
0 |
0 |
0.042 |
6 |
|
C |
108 |
33 |
19915 |
◊ |
B |
x,y,z |
1_555 |
110 |
32 |
20052 |
984.6 |
-5.9 |
0.401 |
12 |
0 |
0 |
0.042 |
Average: |
991.4 |
-6.0 |
0.386 |
12 |
0 |
0 |
0.042 |
4 |
7 |
|
[NAP]C:101 |
46 |
1 |
919 |
f |
C |
x,y,z |
1_555 |
83 |
33 |
19915 |
602.7 |
-5.7 |
0.301 |
10 |
0 |
0 |
0.124 |
8 |
|
[NAP]D:101 |
46 |
1 |
921 |
f |
D |
x,y,z |
1_555 |
82 |
33 |
19957 |
602.0 |
-5.8 |
0.291 |
10 |
0 |
0 |
0.124 |
9 |
|
[NAP]A:101 |
46 |
1 |
921 |
f |
A |
x,y,z |
1_555 |
82 |
33 |
20069 |
601.1 |
-5.5 |
0.298 |
10 |
0 |
0 |
0.124 |
10 |
|
[NAP]B:101 |
46 |
1 |
918 |
f |
B |
x,y,z |
1_555 |
84 |
33 |
20052 |
600.2 |
-5.5 |
0.309 |
10 |
0 |
0 |
0.124 |
Average: |
601.5 |
-5.6 |
0.300 |
10 |
0 |
0 |
0.124 |
5 |
11 |
|
B |
60 |
15 |
20052 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
57 |
15 |
19957 |
498.8 |
-8.1 |
0.092 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
C |
54 |
16 |
19915 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
54 |
16 |
19915 |
495.5 |
-4.0 |
0.356 |
6 |
0 |
0 |
0.019 |
7 |
13 |
|
C |
40 |
8 |
19915 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
32 |
9 |
20069 |
298.7 |
-2.0 |
0.380 |
3 |
0 |
0 |
0.021 |
8 |
14 |
|
A |
21 |
7 |
20069 |
◊ |
C |
x,y,z-1 |
1_554 |
29 |
10 |
19915 |
177.6 |
-0.8 |
0.491 |
2 |
1 |
0 |
0.011 |
9 |
15 |
|
[GOL]D:107 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
19957 |
152.1 |
-1.2 |
0.424 |
5 |
0 |
0 |
0.019 |
10 |
16 |
|
[GOL]B:108 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
20052 |
151.3 |
-1.1 |
0.442 |
3 |
0 |
0 |
0.013 |
11 |
17 |
|
[GOL]A:108 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
20069 |
150.2 |
-1.1 |
0.490 |
3 |
0 |
0 |
0.033 |
18 |
|
[GOL]C:109 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
26 |
14 |
19915 |
150.1 |
-1.2 |
0.494 |
4 |
0 |
0 |
0.033 |
Average: |
150.1 |
-1.2 |
0.492 |
4 |
0 |
0 |
0.033 |
12 |
19 |
|
[SO4]A:106 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20069 |
83.9 |
-11.6 |
0.903 |
2 |
0 |
0 |
0.077 |
13 |
20 |
|
[SO4]B:106 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20052 |
79.6 |
-10.3 |
0.871 |
2 |
0 |
0 |
0.061 |
14 |
21 |
|
[SO4]A:107 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20069 |
79.3 |
-11.2 |
0.718 |
2 |
0 |
0 |
0.075 |
15 |
22 |
|
[SO4]D:105 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
19957 |
78.5 |
-10.3 |
0.879 |
2 |
0 |
0 |
0.061 |
16 |
23 |
|
[SO4]C:107 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
19957 |
77.4 |
-11.0 |
0.624 |
1 |
0 |
0 |
0.055 |
17 |
24 |
|
[SO4]C:107 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
19915 |
76.9 |
-11.0 |
0.710 |
2 |
0 |
0 |
0.073 |
18 |
25 |
|
[SO4]B:107 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20052 |
76.9 |
-11.3 |
0.654 |
2 |
0 |
0 |
0.066 |
19 |
26 |
|
[SO4]B:107 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
20069 |
76.8 |
-11.1 |
0.610 |
1 |
0 |
0 |
0.049 |
20 |
27 |
|
[SO4]D:106 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
19957 |
76.6 |
-11.0 |
0.760 |
2 |
0 |
0 |
0.065 |
21 |
28 |
|
[SO4]B:104 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
20052 |
76.2 |
-9.2 |
0.965 |
4 |
0 |
0 |
0.060 |
22 |
29 |
|
[SO4]D:106 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
19915 |
75.7 |
-11.1 |
0.600 |
1 |
0 |
0 |
0.055 |
23 |
30 |
|
[SO4]C:104 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19915 |
75.3 |
-9.1 |
0.959 |
4 |
0 |
0 |
0.067 |
24 |
31 |
|
[SO4]C:106 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19915 |
75.3 |
-9.5 |
0.923 |
3 |
0 |
0 |
0.067 |
25 |
32 |
|
[SO4]A:107 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
20052 |
74.7 |
-10.8 |
0.597 |
1 |
0 |
0 |
0.048 |
26 |
33 |
|
[SO4]A:104 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20069 |
73.1 |
-8.7 |
0.967 |
4 |
0 |
0 |
0.065 |
27 |
34 |
|
[SO4]B:105 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20069 |
73.0 |
-7.0 |
0.958 |
2 |
0 |
0 |
0.049 |
28 |
35 |
|
[SO4]D:104 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
19957 |
72.9 |
-8.6 |
0.970 |
4 |
0 |
0 |
0.057 |
29 |
36 |
|
[SO4]A:105 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20052 |
71.0 |
-7.2 |
0.949 |
1 |
0 |
0 |
0.042 |
30 |
37 |
|
[SO4]C:102 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
19915 |
70.6 |
-8.6 |
0.907 |
1 |
0 |
0 |
0.056 |
31 |
38 |
|
[SO4]D:102 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
20052 |
69.7 |
-9.0 |
0.855 |
1 |
0 |
0 |
0.052 |
32 |
39 |
|
[SO4]A:102 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20069 |
68.2 |
-8.7 |
0.859 |
1 |
0 |
0 |
0.056 |
33 |
40 |
|
[SO4]B:102 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
19957 |
68.1 |
-8.7 |
0.853 |
1 |
0 |
0 |
0.050 |
34 |
41 |
|
[SO4]C:108 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
19915 |
67.4 |
-7.3 |
0.964 |
4 |
0 |
0 |
0.056 |
35 |
42 |
|
[SO4]B:103 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20052 |
65.1 |
-8.3 |
0.862 |
2 |
0 |
0 |
0.050 |
36 |
43 |
|
[SO4]D:103 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
19957 |
63.8 |
-7.8 |
0.886 |
2 |
0 |
0 |
0.048 |
37 |
44 |
|
[SO4]C:103 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
19915 |
63.7 |
-8.0 |
0.886 |
2 |
0 |
0 |
0.055 |
38 |
45 |
|
[SO4]A:103 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
20069 |
63.3 |
-7.7 |
0.875 |
2 |
0 |
0 |
0.053 |
39 |
46 |
|
[SO4]C:105 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
19957 |
61.3 |
-5.7 |
0.948 |
2 |
0 |
0 |
0.036 |
40 |
47 |
|
[SO4]C:108 |
4 |
1 |
185 |
f |
A |
-x+1,y,-z+1 |
2_656 |
9 |
4 |
20069 |
57.1 |
-7.8 |
0.734 |
3 |
0 |
0 |
0.057 |
41 |
48 |
|
[SO4]B:105 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20052 |
46.3 |
-5.8 |
0.826 |
1 |
0 |
0 |
0.026 |
42 |
49 |
|
[SO4]A:105 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20069 |
45.3 |
-5.6 |
0.822 |
1 |
0 |
0 |
0.026 |
43 |
50 |
|
[SO4]A:104 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19915 |
43.2 |
-5.2 |
0.827 |
1 |
0 |
0 |
0.031 |
44 |
51 |
|
[SO4]C:105 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
19915 |
42.7 |
-5.1 |
0.835 |
1 |
0 |
0 |
0.026 |
45 |
52 |
|
[SO4]C:104 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
20069 |
41.7 |
-5.1 |
0.757 |
0 |
0 |
0 |
0.028 |
46 |
53 |
|
[SO4]B:104 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
19957 |
41.6 |
-5.0 |
0.788 |
0 |
0 |
0 |
0.028 |
47 |
54 |
|
[SO4]D:102 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19957 |
41.2 |
-3.9 |
0.983 |
2 |
0 |
0 |
0.026 |
48 |
55 |
|
[SO4]D:104 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
20052 |
41.0 |
-4.9 |
0.812 |
1 |
0 |
0 |
0.029 |
49 |
56 |
|
[SO4]A:102 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19915 |
40.7 |
-3.8 |
0.984 |
2 |
0 |
0 |
0.026 |
50 |
57 |
|
[SO4]B:102 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20052 |
39.4 |
-3.7 |
0.985 |
2 |
0 |
0 |
0.025 |
51 |
58 |
|
[SO4]C:102 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20069 |
38.3 |
-3.7 |
0.981 |
2 |
0 |
0 |
0.025 |
52 |
59 |
|
[SO4]A:106 |
2 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
3 |
19915 |
33.8 |
-4.1 |
0.787 |
0 |
0 |
0 |
0.024 |
53 |
60 |
|
[SO4]B:105 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
19915 |
24.9 |
-2.4 |
0.974 |
0 |
0 |
0 |
0.013 |
54 |
61 |
|
[SO4]C:105 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
20052 |
24.7 |
-2.5 |
0.953 |
0 |
0 |
0 |
0.014 |
55 |
62 |
|
[SO4]A:105 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
19957 |
22.2 |
-1.9 |
0.971 |
0 |
0 |
0 |
0.010 |
56 |
63 |
|
[SO4]C:106 |
3 |
1 |
185 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
20069 |
21.3 |
-2.0 |
0.952 |
1 |
0 |
0 |
0.015 |
57 |
64 |
|
[SO4]B:102 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19915 |
11.4 |
-1.2 |
0.826 |
0 |
0 |
0 |
0.006 |
58 |
65 |
|
[SO4]C:102 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19957 |
11.0 |
-1.2 |
0.904 |
0 |
0 |
0 |
0.006 |
59 |
66 |
|
[SO4]A:102 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20052 |
10.1 |
-1.1 |
0.900 |
0 |
0 |
0 |
0.005 |
60 |
67 |
|
[SO4]D:102 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20069 |
9.9 |
-1.1 |
0.820 |
0 |
0 |
0 |
0.005 |
61 |
68 |
|
[SO4]D:104 |
1 |
1 |
185 |
◊ |
[SO4]D:102 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.4 |
-2.3 |
0.800 |
0 |
0 |
0 |
0.012 |
62 |
69 |
|
[SO4]B:104 |
1 |
1 |
185 |
◊ |
[SO4]B:102 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.5 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.011 |
63 |
70 |
|
[SO4]C:104 |
1 |
1 |
186 |
◊ |
[SO4]A:102 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.2 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.011 |
64 |
71 |
|
[SO4]C:102 |
1 |
1 |
185 |
◊ |
[SO4]A:104 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.1 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.011 |
65 |
72 |
|
[GOL]C:109 |
1 |
1 |
219 |
f |
[NAP]C:101 |
x,y,z |
1_555 |
1 |
1 |
919 |
6.4 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
66 |
73 |
|
[GOL]A:108 |
1 |
1 |
219 |
f |
[NAP]A:101 |
x,y,z |
1_555 |
1 |
1 |
921 |
5.7 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
67 |
74 |
|
[GOL]B:108 |
1 |
1 |
219 |
f |
[NAP]B:101 |
x,y,z |
1_555 |
1 |
1 |
918 |
3.9 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
68 |
75 |
|
[SO4]D:104 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20069 |
2.8 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
69 |
76 |
|
[GOL]D:107 |
1 |
1 |
219 |
f |
[NAP]D:101 |
x,y,z |
1_555 |
1 |
1 |
921 |
0.9 |
-0.0 |
0.521 |
0 |
0 |
0 |
0.000 |
|