## |
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 |
118 |
36 |
18088 |
◊ |
C |
x,y,z |
1_555 |
121 |
35 |
18136 |
1114.3 |
4.6 |
0.831 |
17 |
6 |
0 |
0.013 |
2 |
|
B |
116 |
34 |
17336 |
◊ |
A |
x,y,z |
1_555 |
117 |
35 |
17860 |
1015.2 |
2.4 |
0.746 |
8 |
8 |
0 |
0.013 |
Average: |
1064.7 |
3.5 |
0.789 |
13 |
7 |
0 |
0.013 |
2 |
3 |
|
C |
80 |
26 |
18136 |
◊ |
B |
x,y,z |
1_555 |
84 |
26 |
17336 |
779.2 |
-1.2 |
0.470 |
7 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
82 |
21 |
18136 |
◊ |
A |
-x+1/2,-y-1,z-1/2 |
2_544 |
77 |
20 |
17860 |
719.4 |
-3.9 |
0.345 |
11 |
9 |
0 |
0.044 |
5 |
|
D |
78 |
19 |
18088 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
76 |
20 |
17336 |
700.4 |
-5.4 |
0.246 |
11 |
8 |
0 |
0.044 |
Average: |
709.9 |
-4.6 |
0.295 |
11 |
9 |
0 |
0.044 |
4 |
6 |
|
A |
61 |
25 |
17860 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
66 |
19 |
17336 |
564.8 |
-0.1 |
0.515 |
3 |
3 |
0 |
0.000 |
5 |
7 |
|
A |
29 |
10 |
17860 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
30 |
8 |
18136 |
280.5 |
0.5 |
0.634 |
3 |
6 |
0 |
0.000 |
6 |
8 |
|
D |
20 |
7 |
18088 |
◊ |
A |
-x-1/2,-y-1,z-1/2 |
2_444 |
20 |
7 |
17860 |
180.0 |
1.2 |
0.729 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
18 |
8 |
17860 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
6 |
17336 |
136.1 |
0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
19 |
7 |
18136 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
15 |
8 |
17336 |
127.7 |
0.2 |
0.601 |
0 |
1 |
0 |
0.000 |
9 |
11 |
|
[SO4]C:503 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
18136 |
119.3 |
-17.5 |
0.589 |
4 |
0 |
0 |
0.068 |
10 |
12 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17860 |
116.5 |
-18.3 |
0.748 |
7 |
0 |
0 |
0.076 |
11 |
13 |
|
[SO4]C:505 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
18136 |
112.9 |
-19.4 |
0.748 |
8 |
0 |
0 |
0.081 |
12 |
14 |
|
[SO4]A:504 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17860 |
110.2 |
-16.5 |
0.595 |
3 |
0 |
0 |
0.063 |
13 |
15 |
|
[SO4]D:501 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
18088 |
110.1 |
-18.2 |
0.678 |
6 |
0 |
0 |
0.043 |
14 |
16 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
17336 |
109.9 |
-17.9 |
0.682 |
6 |
0 |
0 |
0.042 |
15 |
17 |
|
[SO4]A:500 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17860 |
105.3 |
-14.5 |
0.915 |
8 |
0 |
0 |
0.064 |
16 |
18 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
18088 |
103.4 |
-15.4 |
0.854 |
6 |
0 |
0 |
0.037 |
17 |
19 |
|
[SO4]B:500 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
17336 |
102.7 |
-15.1 |
0.800 |
6 |
0 |
0 |
0.036 |
18 |
20 |
|
[SO4]C:500 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
18136 |
102.6 |
-15.0 |
0.877 |
9 |
0 |
0 |
0.067 |
19 |
21 |
|
[SO4]B:506 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
17336 |
102.1 |
-16.8 |
0.620 |
4 |
0 |
0 |
0.038 |
20 |
22 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17336 |
101.9 |
-10.4 |
0.932 |
4 |
0 |
0 |
0.025 |
21 |
23 |
|
[SO4]A:456 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
17860 |
101.8 |
-16.7 |
0.708 |
4 |
0 |
0 |
0.065 |
22 |
24 |
|
[SO4]C:507 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
18136 |
101.7 |
-16.7 |
0.617 |
4 |
0 |
0 |
0.065 |
23 |
25 |
|
[SO4]C:504 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
18136 |
93.5 |
-14.0 |
0.681 |
2 |
0 |
0 |
0.053 |
24 |
26 |
|
[SO4]C:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
18136 |
86.9 |
-10.0 |
0.938 |
3 |
0 |
0 |
0.040 |
25 |
27 |
|
[SO4]B:505 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
17336 |
84.7 |
-11.4 |
0.787 |
3 |
0 |
0 |
0.026 |
26 |
28 |
|
[SO4]D:503 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
18088 |
79.1 |
-10.7 |
0.815 |
3 |
0 |
0 |
0.025 |
27 |
29 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
18136 |
77.6 |
-10.4 |
0.746 |
2 |
0 |
0 |
0.040 |
28 |
30 |
|
[SO4]A:505 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
17860 |
77.2 |
-11.0 |
0.781 |
5 |
0 |
0 |
0.047 |
29 |
31 |
|
[SO4]B:456 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
17336 |
75.9 |
-10.1 |
0.911 |
4 |
0 |
0 |
0.024 |
30 |
32 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17860 |
75.4 |
-10.3 |
0.763 |
4 |
0 |
0 |
0.043 |
31 |
33 |
|
[SO4]C:456 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
18136 |
72.7 |
-8.7 |
0.921 |
5 |
0 |
0 |
0.039 |
32 |
34 |
|
[SO4]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17860 |
70.7 |
-8.8 |
0.788 |
3 |
0 |
0 |
0.036 |
33 |
35 |
|
[SO4]A:503 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
11 |
5 |
17336 |
70.4 |
-9.7 |
0.672 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[SO4]C:456 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
18088 |
70.2 |
-9.1 |
0.797 |
3 |
0 |
0 |
0.021 |
35 |
37 |
|
[SO4]B:501 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
17336 |
69.5 |
-8.3 |
0.915 |
4 |
0 |
0 |
0.021 |
36 |
38 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
17860 |
61.8 |
-8.5 |
0.436 |
1 |
0 |
0 |
0.032 |
37 |
39 |
|
[SO4]B:503 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
17336 |
59.5 |
-7.9 |
0.527 |
2 |
0 |
0 |
0.018 |
38 |
40 |
|
[SO4]D:505 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
18088 |
59.1 |
-7.8 |
0.536 |
2 |
0 |
0 |
0.018 |
39 |
41 |
|
[SO4]C:506 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
18136 |
53.4 |
-6.9 |
0.419 |
2 |
0 |
0 |
0.028 |
40 |
42 |
|
[SO4]A:502 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
17860 |
50.8 |
-6.4 |
0.760 |
2 |
0 |
0 |
0.026 |
41 |
43 |
|
C |
7 |
2 |
18136 |
◊ |
[SO4]A:502 |
-x+1/2,-y-1,z-1/2 |
2_544 |
4 |
1 |
186 |
46.3 |
-5.7 |
0.814 |
0 |
0 |
0 |
0.020 |
42 |
44 |
|
D |
14 |
6 |
18088 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
18136 |
45.4 |
0.3 |
0.647 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
D |
5 |
4 |
18088 |
◊ |
[SO4]A:502 |
-x-1/2,-y-1,z-1/2 |
2_444 |
4 |
1 |
186 |
31.7 |
-3.4 |
0.823 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
[SO4]B:504 |
3 |
1 |
185 |
f |
[SO4]B:500 |
x,y,z |
1_555 |
2 |
1 |
185 |
14.7 |
-3.3 |
0.976 |
0 |
0 |
0 |
0.007 |
45 |
47 |
|
[SO4]C:502 |
3 |
1 |
186 |
f |
[SO4]C:500 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.7 |
-2.0 |
0.891 |
0 |
0 |
0 |
0.007 |
46 |
48 |
|
[SO4]D:502 |
1 |
1 |
185 |
f |
[SO4]D:501 |
x,y,z |
1_555 |
2 |
1 |
183 |
6.4 |
-1.5 |
0.876 |
0 |
0 |
0 |
0.003 |
47 |
49 |
|
[SO4]B:502 |
3 |
1 |
185 |
f |
[SO4]B:500 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.8 |
-1.0 |
0.894 |
0 |
0 |
0 |
0.002 |
48 |
50 |
|
[SO4]D:503 |
1 |
1 |
185 |
f |
[SO4]D:502 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.7 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.002 |
49 |
51 |
|
[SO4]C:505 |
1 |
1 |
184 |
f |
[SO4]C:500 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.9 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.003 |
50 |
52 |
|
[SO4]A:505 |
1 |
1 |
186 |
f |
[SO4]A:500 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.5 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.002 |
51 |
53 |
|
[SO4]B:500 |
1 |
1 |
185 |
f |
[SO4]B:456 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.5 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.001 |
52 |
54 |
|
[SO4]C:504 |
1 |
1 |
185 |
f |
[SO4]C:500 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.3 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|