## |
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 |
101 |
28 |
19503 |
◊ |
A |
-y+1,-x+1,-z+4/3 |
10_666 |
98 |
27 |
19627 |
930.4 |
0.5 |
0.751 |
13 |
8 |
0 |
0.004 |
2 |
2 |
|
B |
80 |
26 |
19503 |
◊ |
A |
-x+y,y,-z+1 |
11_556 |
79 |
27 |
19627 |
709.1 |
5.6 |
0.931 |
11 |
9 |
0 |
0.000 |
3 |
3 |
|
[NDP]B:492 |
46 |
1 |
921 |
f |
B |
x,y,z |
1_555 |
81 |
31 |
19503 |
583.7 |
-3.6 |
0.403 |
9 |
0 |
0 |
0.092 |
4 |
|
[NDP]A:492 |
47 |
1 |
916 |
f |
A |
x,y,z |
1_555 |
80 |
31 |
19627 |
581.2 |
-3.9 |
0.375 |
8 |
0 |
0 |
0.092 |
Average: |
582.5 |
-3.7 |
0.389 |
9 |
0 |
0 |
0.092 |
4 |
5 |
|
B |
58 |
16 |
19503 |
◊ |
A |
y,x,-z+4/3 |
7_556 |
56 |
16 |
19627 |
556.0 |
-6.5 |
0.165 |
5 |
8 |
0 |
0.061 |
5 |
6 |
|
A |
30 |
10 |
19627 |
◊ |
B |
x-y,x,z-1/3 |
6_554 |
38 |
12 |
19503 |
304.0 |
1.4 |
0.751 |
2 |
1 |
0 |
0.000 |
6 |
7 |
|
B |
16 |
4 |
19503 |
◊ |
B |
-x+1,-y+1,z |
4_665 |
16 |
4 |
19503 |
174.2 |
1.0 |
0.771 |
6 |
8 |
0 |
0.000 |
8 |
|
A |
18 |
5 |
19627 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
18 |
5 |
19627 |
131.1 |
0.7 |
0.726 |
0 |
0 |
0 |
0.000 |
Average: |
152.6 |
0.9 |
0.748 |
3 |
4 |
0 |
0.001 |
7 |
9 |
|
B |
17 |
5 |
19503 |
◊ |
B |
x,x-y+1,-z+5/3 |
12_566 |
17 |
5 |
19503 |
166.1 |
-0.1 |
0.611 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
[SO4]A:497 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
19627 |
108.0 |
-16.8 |
0.667 |
2 |
0 |
0 |
0.108 |
9 |
11 |
|
[SO4]B:495 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19503 |
86.5 |
-11.2 |
0.913 |
4 |
0 |
0 |
0.079 |
10 |
12 |
|
[SO4]A:495 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19627 |
85.9 |
-11.3 |
0.899 |
3 |
0 |
0 |
0.077 |
11 |
13 |
|
[SO4]B:493 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19503 |
78.1 |
-10.9 |
0.623 |
2 |
0 |
0 |
0.072 |
12 |
14 |
|
[NDP]B:492 |
11 |
1 |
921 |
◊ |
A |
-x+y,y,-z+1 |
11_556 |
12 |
3 |
19627 |
75.6 |
0.9 |
0.677 |
1 |
0 |
0 |
0.000 |
15 |
|
[NDP]A:492 |
11 |
1 |
916 |
◊ |
B |
-x+y,y,-z+1 |
11_556 |
11 |
2 |
19503 |
72.3 |
1.0 |
0.675 |
1 |
0 |
0 |
0.000 |
Average: |
73.9 |
1.0 |
0.676 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]A:493 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19627 |
75.2 |
-10.4 |
0.650 |
2 |
0 |
0 |
0.069 |
14 |
17 |
|
[SO4]B:494 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19503 |
64.9 |
-7.8 |
0.934 |
4 |
0 |
0 |
0.114 |
18 |
|
[SO4]A:494 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
19627 |
63.1 |
-7.4 |
0.932 |
4 |
0 |
0 |
0.114 |
Average: |
64.0 |
-7.6 |
0.933 |
4 |
0 |
0 |
0.114 |
15 |
19 |
|
[SO4]B:496 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19503 |
64.5 |
-6.9 |
0.958 |
3 |
0 |
0 |
0.051 |
16 |
20 |
|
[SO4]A:496 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
19627 |
64.2 |
-6.8 |
0.965 |
3 |
0 |
0 |
0.050 |
17 |
21 |
|
[MG]A:498 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19627 |
49.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.102 |
22 |
|
[MG]B:497 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19503 |
48.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
48.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.102 |
18 |
23 |
|
[MG]A:499 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19627 |
39.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.052 |
24 |
|
[MG]B:498 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19503 |
35.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
37.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.052 |
19 |
25 |
|
[SO4]A:494 |
4 |
1 |
186 |
◊ |
B |
y,x,-z+4/3 |
7_556 |
5 |
2 |
19503 |
28.7 |
-2.8 |
0.865 |
0 |
0 |
0 |
0.033 |
26 |
|
[SO4]B:494 |
4 |
1 |
185 |
◊ |
A |
y,x,-z+4/3 |
7_556 |
5 |
2 |
19627 |
26.8 |
-2.6 |
0.876 |
0 |
0 |
0 |
0.033 |
Average: |
27.7 |
-2.7 |
0.871 |
0 |
0 |
0 |
0.033 |
20 |
27 |
|
[MG]B:498 |
1 |
1 |
98 |
f |
[MG]B:497 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
21 |
28 |
|
[MG]A:499 |
1 |
1 |
98 |
f |
[MG]A:498 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.017 |
22 |
29 |
|
B |
1 |
1 |
19503 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
19627 |
13.1 |
-0.4 |
0.159 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[MG]B:498 |
1 |
1 |
98 |
f |
[NDP]B:492 |
x,y,z |
1_555 |
5 |
1 |
921 |
5.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
24 |
31 |
|
A |
1 |
1 |
19627 |
◊ |
A |
x,x-y+1,-z+2/3 |
12_565 |
1 |
1 |
19627 |
4.0 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
A |
2 |
2 |
19627 |
◊ |
A |
-x+y,y,-z+1 |
11_556 |
2 |
2 |
19627 |
2.0 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
|