## |
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 |
92 |
27 |
8166 |
◊ |
A |
x,y,z |
1_555 |
96 |
30 |
8223 |
890.1 |
-4.3 |
0.434 |
12 |
2 |
0 |
0.087 |
2 |
2 |
|
B |
71 |
21 |
8166 |
◊ |
A |
x,y,z-1 |
1_554 |
64 |
18 |
8223 |
596.5 |
-0.1 |
0.637 |
8 |
3 |
0 |
0.036 |
3 |
3 |
|
A |
37 |
13 |
8223 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
37 |
13 |
8223 |
352.7 |
1.3 |
0.728 |
6 |
0 |
0 |
0.005 |
4 |
4 |
|
B |
31 |
9 |
8166 |
◊ |
A |
-x+1,y,-z |
2_655 |
37 |
10 |
8223 |
319.8 |
-0.1 |
0.571 |
3 |
1 |
0 |
0.013 |
5 |
5 |
|
A |
26 |
8 |
8223 |
x |
A |
x,y-1,z |
1_545 |
19 |
7 |
8223 |
180.5 |
-0.9 |
0.496 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
15 |
6 |
8166 |
◊ |
A |
-x+1,y-1,-z |
2_645 |
20 |
6 |
8223 |
170.4 |
1.7 |
0.784 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
16 |
5 |
8166 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
17 |
5 |
8223 |
125.5 |
-0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
11 |
5 |
8166 |
x |
B |
x,y-1,z |
1_545 |
11 |
4 |
8166 |
91.3 |
1.6 |
0.805 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
[IOD]B:2981 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8166 |
86.9 |
-0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[SM]A:2902 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
8223 |
86.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.067 |
11 |
|
[SM]A:2902 |
1 |
1 |
216 |
◊ |
B |
-x+1,y,-z |
2_655 |
10 |
3 |
8166 |
80.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
83.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.067 |
11 |
12 |
|
[SO4]A:604 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
8223 |
85.3 |
-12.5 |
0.716 |
3 |
0 |
0 |
0.122 |
12 |
13 |
|
[SM]B:2901 |
1 |
1 |
216 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
12 |
4 |
8223 |
84.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
|
[SM]B:2901 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
8166 |
83.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
84.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]B:602 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8166 |
75.9 |
-9.5 |
0.859 |
2 |
0 |
0 |
0.092 |
14 |
16 |
|
[SM]A:2904 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
8 |
3 |
8223 |
74.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.031 |
15 |
17 |
|
[SO4]B:606 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8166 |
74.6 |
-10.3 |
0.723 |
2 |
0 |
0 |
0.099 |
16 |
18 |
|
[SO4]A:603 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8223 |
73.8 |
-11.1 |
0.697 |
2 |
0 |
0 |
0.106 |
17 |
19 |
|
[SO4]A:601 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8223 |
68.7 |
-8.7 |
0.840 |
2 |
0 |
0 |
0.085 |
18 |
20 |
|
[SO4]A:605 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8223 |
68.6 |
-6.8 |
0.901 |
3 |
0 |
0 |
0.072 |
19 |
21 |
|
B |
12 |
4 |
8166 |
f |
[SO4]A:605 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
65.7 |
-9.3 |
0.613 |
3 |
0 |
0 |
0.094 |
20 |
22 |
|
[IOD]B:2984 |
1 |
1 |
144 |
◊ |
A |
-x+1,y-1,-z |
2_645 |
7 |
4 |
8223 |
61.7 |
0.3 |
0.820 |
0 |
0 |
0 |
0.000 |
23 |
|
[IOD]B:2984 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8166 |
57.0 |
0.4 |
0.849 |
0 |
0 |
0 |
0.000 |
Average: |
59.4 |
0.4 |
0.834 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
B |
12 |
5 |
8166 |
◊ |
[IOD]A:2983 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
61.5 |
0.6 |
0.859 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[CL]B:2993 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8166 |
60.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.073 |
23 |
26 |
|
[IOD]B:2982 |
1 |
1 |
144 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
3 |
8223 |
58.6 |
-0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[IOD]A:2983 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8223 |
57.3 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.002 |
25 |
28 |
|
[MG]A:2831 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8223 |
56.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.063 |
26 |
29 |
|
[CL]A:2991 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
8223 |
56.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.065 |
27 |
30 |
|
[IOD]B:2982 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8166 |
51.7 |
-0.4 |
0.615 |
0 |
0 |
0 |
0.004 |
28 |
31 |
|
[CL]A:2991 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z |
2_655 |
5 |
2 |
8166 |
43.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.046 |
29 |
32 |
|
[IOD]B:2986 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8166 |
41.5 |
-0.2 |
0.683 |
0 |
0 |
0 |
0.002 |
30 |
33 |
|
A |
6 |
3 |
8223 |
◊ |
[SO4]A:603 |
x,y-1,z |
1_545 |
4 |
1 |
187 |
41.2 |
-4.7 |
0.858 |
2 |
0 |
0 |
0.000 |
31 |
34 |
|
[IOD]B:2986 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8223 |
38.9 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.004 |
32 |
35 |
|
[IOD]A:2985 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8223 |
38.8 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.001 |
33 |
36 |
|
[SO4]B:606 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8223 |
35.5 |
-3.5 |
0.919 |
1 |
0 |
0 |
0.035 |
34 |
37 |
|
B |
4 |
1 |
8166 |
x |
[SM]A:2904 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
32.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
35 |
38 |
|
B |
5 |
3 |
8166 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
2 |
8223 |
30.6 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[CL]B:2993 |
1 |
1 |
125 |
f |
[SO4]A:605 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
28.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.055 |
37 |
40 |
|
[IOD]A:2985 |
1 |
1 |
144 |
f |
[SO4]A:605 |
x,y,z |
1_555 |
3 |
1 |
186 |
21.4 |
-1.8 |
0.996 |
0 |
0 |
0 |
0.016 |
38 |
41 |
|
[IOD]B:2981 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8223 |
19.5 |
0.1 |
0.843 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[CL]B:2993 |
1 |
1 |
125 |
f |
[IOD]A:2985 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
15.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
43 |
|
B |
1 |
1 |
8166 |
f |
[IOD]A:2985 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
3.2 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
B |
1 |
1 |
8166 |
◊ |
[SO4]A:604 |
x,y,z-1 |
1_554 |
1 |
1 |
187 |
1.3 |
-0.2 |
0.698 |
0 |
0 |
0 |
0.001 |
|