## |
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 |
208 |
60 |
8986 |
◊ |
C |
x,y,z |
1_555 |
206 |
59 |
9096 |
1960.1 |
-23.6 |
0.070 |
22 |
0 |
0 |
0.193 |
2 |
|
B |
211 |
60 |
9039 |
◊ |
A |
x,y,z |
1_555 |
204 |
57 |
9107 |
1955.1 |
-24.8 |
0.056 |
20 |
0 |
0 |
0.193 |
Average: |
1957.6 |
-24.2 |
0.063 |
21 |
0 |
0 |
0.193 |
2 |
3 |
|
D |
101 |
26 |
8986 |
◊ |
A |
x,y,z |
1_555 |
102 |
28 |
9107 |
956.2 |
-7.0 |
0.380 |
16 |
9 |
0 |
0.104 |
4 |
|
C |
96 |
24 |
9096 |
◊ |
B |
x,y,z |
1_555 |
103 |
26 |
9039 |
928.8 |
-9.1 |
0.229 |
16 |
7 |
0 |
0.104 |
Average: |
942.5 |
-8.0 |
0.305 |
16 |
8 |
0 |
0.104 |
3 |
5 |
|
D |
47 |
15 |
8986 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
9039 |
441.3 |
-5.7 |
0.206 |
2 |
5 |
0 |
0.036 |
6 |
|
C |
46 |
14 |
9096 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
9107 |
439.0 |
-6.2 |
0.166 |
4 |
5 |
0 |
0.036 |
Average: |
440.2 |
-5.9 |
0.186 |
3 |
5 |
0 |
0.036 |
4 |
7 |
|
C |
32 |
10 |
9096 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
10 |
8986 |
314.0 |
-5.2 |
0.183 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
30 |
8 |
9107 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
11 |
8986 |
286.0 |
-2.0 |
0.471 |
1 |
4 |
0 |
0.007 |
6 |
9 |
|
B |
31 |
10 |
9039 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
8 |
9096 |
252.6 |
-3.6 |
0.275 |
0 |
0 |
0 |
0.009 |
7 |
10 |
|
A |
30 |
10 |
9107 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
10 |
9039 |
247.7 |
1.0 |
0.738 |
2 |
2 |
0 |
0.000 |
8 |
11 |
|
D |
31 |
9 |
8986 |
◊ |
C |
x-1,y,z-1 |
1_454 |
22 |
9 |
9096 |
232.2 |
0.6 |
0.710 |
3 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
23 |
8 |
9107 |
◊ |
B |
x-1,y,z-1 |
1_454 |
18 |
8 |
9039 |
200.6 |
-2.2 |
0.376 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
20 |
5 |
9039 |
◊ |
A |
x-1,y,z |
1_455 |
20 |
5 |
9107 |
182.3 |
2.3 |
0.842 |
4 |
0 |
0 |
0.000 |
11 |
14 |
|
D |
20 |
7 |
8986 |
◊ |
C |
x,y,z-1 |
1_554 |
21 |
6 |
9096 |
174.7 |
0.3 |
0.674 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
18 |
7 |
9039 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
6 |
8986 |
173.1 |
1.5 |
0.780 |
3 |
5 |
0 |
0.002 |
13 |
16 |
|
[SO4]C:203 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
9096 |
120.5 |
-16.3 |
0.779 |
8 |
0 |
0 |
0.119 |
14 |
17 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
8986 |
116.5 |
-15.6 |
0.778 |
6 |
0 |
0 |
0.105 |
15 |
18 |
|
A |
14 |
6 |
9107 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
9096 |
113.3 |
-0.6 |
0.515 |
1 |
0 |
0 |
0.003 |
16 |
19 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
9107 |
113.2 |
-15.2 |
0.885 |
5 |
0 |
0 |
0.100 |
17 |
20 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
9039 |
106.7 |
-15.5 |
0.873 |
6 |
0 |
0 |
0.110 |
18 |
21 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
9096 |
101.7 |
-12.5 |
0.931 |
4 |
0 |
0 |
0.086 |
19 |
22 |
|
[SO4]B:202 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9039 |
99.8 |
-12.3 |
0.929 |
4 |
0 |
0 |
0.085 |
20 |
23 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9107 |
99.6 |
-12.2 |
0.925 |
8 |
0 |
0 |
0.090 |
21 |
24 |
|
[SO4]D:203 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
8986 |
98.2 |
-13.1 |
0.930 |
5 |
0 |
0 |
0.089 |
22 |
25 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9107 |
91.5 |
-13.2 |
0.764 |
2 |
0 |
0 |
0.081 |
23 |
26 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
9039 |
89.5 |
-11.9 |
0.851 |
5 |
0 |
0 |
0.085 |
24 |
27 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
9096 |
89.3 |
-13.5 |
0.701 |
1 |
0 |
0 |
0.084 |
25 |
28 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
9039 |
88.2 |
-13.7 |
0.752 |
2 |
0 |
0 |
0.088 |
26 |
29 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8986 |
81.9 |
-12.2 |
0.776 |
2 |
0 |
0 |
0.076 |
27 |
30 |
|
D |
15 |
4 |
8986 |
f |
[SO4]C:204 |
x-1,y,z-1 |
1_454 |
5 |
1 |
186 |
78.8 |
-10.2 |
0.866 |
3 |
0 |
0 |
0.067 |
28 |
31 |
|
[SO4]B:206 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
9039 |
78.6 |
-10.5 |
0.814 |
2 |
0 |
0 |
0.069 |
29 |
32 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9107 |
76.6 |
-10.3 |
0.744 |
2 |
0 |
0 |
0.064 |
30 |
33 |
|
[SO4]B:205 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9107 |
73.7 |
-10.8 |
0.659 |
0 |
0 |
0 |
0.062 |
31 |
34 |
|
[SO4]D:204 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
8986 |
69.3 |
-8.8 |
0.897 |
3 |
0 |
0 |
0.059 |
32 |
35 |
|
[SO4]B:205 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9039 |
63.3 |
-9.0 |
0.448 |
1 |
0 |
0 |
0.044 |
33 |
36 |
|
[SO4]A:205 |
5 |
1 |
185 |
f |
C |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
7 |
9096 |
60.6 |
-7.2 |
0.738 |
0 |
0 |
0 |
0.043 |
34 |
37 |
|
A |
8 |
4 |
9107 |
◊ |
C |
x-1,y,z-1 |
1_454 |
7 |
2 |
9096 |
54.3 |
0.3 |
0.566 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[SO4]B:204 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
9107 |
53.7 |
-7.4 |
0.688 |
2 |
0 |
0 |
0.039 |
36 |
39 |
|
[SO4]C:204 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9096 |
45.6 |
-4.4 |
0.945 |
3 |
0 |
0 |
0.002 |
37 |
40 |
|
[SO4]A:205 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9107 |
44.0 |
-4.8 |
0.886 |
1 |
0 |
0 |
0.013 |
38 |
41 |
|
A |
7 |
3 |
9107 |
◊ |
[SO4]D:204 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
185 |
38.8 |
-4.5 |
0.842 |
0 |
0 |
0 |
0.011 |
39 |
42 |
|
[SO4]D:201 |
4 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
9096 |
38.4 |
-3.4 |
0.940 |
2 |
0 |
0 |
0.000 |
40 |
43 |
|
[SO4]D:203 |
4 |
1 |
185 |
f |
[SO4]D:202 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.7 |
-7.9 |
0.998 |
0 |
0 |
0 |
0.046 |
41 |
44 |
|
[SO4]B:203 |
4 |
1 |
185 |
f |
[SO4]B:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
34.4 |
-7.6 |
0.998 |
0 |
0 |
0 |
0.046 |
42 |
45 |
|
[SO4]A:201 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8986 |
31.0 |
-3.0 |
0.957 |
1 |
0 |
0 |
0.020 |
43 |
46 |
|
[SO4]C:203 |
4 |
1 |
185 |
f |
[SO4]C:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.7 |
-6.8 |
0.998 |
0 |
0 |
0 |
0.041 |
44 |
47 |
|
[SO4]D:201 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9107 |
30.4 |
-3.1 |
0.960 |
1 |
0 |
0 |
0.020 |
45 |
48 |
|
[SO4]B:201 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9096 |
28.5 |
-2.8 |
0.960 |
1 |
0 |
0 |
0.020 |
46 |
49 |
|
A |
4 |
2 |
9107 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
2 |
9096 |
27.9 |
-0.2 |
0.558 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[SO4]A:203 |
4 |
1 |
185 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
185 |
27.8 |
-6.0 |
0.998 |
0 |
0 |
0 |
0.034 |
48 |
51 |
|
[SO4]A:204 |
2 |
1 |
185 |
◊ |
B |
x-1,y,z-1 |
1_454 |
5 |
3 |
9039 |
24.3 |
-2.6 |
0.876 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[SO4]A:205 |
3 |
1 |
185 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
8986 |
15.5 |
-1.5 |
0.875 |
0 |
0 |
0 |
0.009 |
50 |
53 |
|
[SO4]A:204 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9039 |
15.4 |
-2.1 |
0.370 |
0 |
0 |
0 |
0.010 |
51 |
54 |
|
[SO4]B:206 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9107 |
12.2 |
-1.7 |
0.538 |
0 |
0 |
0 |
0.008 |
52 |
55 |
|
[SO4]B:204 |
1 |
1 |
185 |
f |
[SO4]B:202 |
x,y,z |
1_555 |
2 |
1 |
184 |
9.7 |
-2.3 |
0.876 |
0 |
0 |
0 |
0.014 |
53 |
56 |
|
[SO4]A:203 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9039 |
8.4 |
-1.0 |
0.693 |
0 |
0 |
0 |
0.005 |
54 |
57 |
|
[SO4]C:201 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9039 |
8.3 |
-0.9 |
0.832 |
0 |
0 |
0 |
0.006 |
55 |
58 |
|
[SO4]B:205 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9096 |
7.1 |
-0.8 |
0.731 |
0 |
0 |
0 |
0.002 |
56 |
59 |
|
C |
1 |
1 |
9096 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
9107 |
5.1 |
0.1 |
0.721 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
A |
1 |
1 |
9107 |
◊ |
[SO4]B:201 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
4.9 |
-0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[SO4]B:205 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8986 |
4.6 |
-0.6 |
0.715 |
0 |
0 |
0 |
0.003 |
59 |
62 |
|
[SO4]A:204 |
1 |
1 |
185 |
◊ |
[SO4]B:206 |
x-1,y,z-1 |
1_454 |
1 |
1 |
185 |
3.5 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
63 |
|
B |
1 |
1 |
9039 |
◊ |
[SO4]D:204 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
185 |
2.9 |
-0.2 |
0.909 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
[SO4]C:202 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8986 |
0.8 |
-0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
|