## |
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 |
|
[4OL]A:202 |
45 |
1 |
896 |
f |
A |
x,y,z |
1_555 |
71 |
24 |
9202 |
504.0 |
-0.6 |
0.594 |
4 |
0 |
0 |
0.050 |
2 |
|
[4OL]C:202 |
46 |
1 |
861 |
f |
C |
x,y,z |
1_555 |
74 |
24 |
9363 |
500.9 |
-0.3 |
0.672 |
4 |
0 |
0 |
0.050 |
3 |
|
[4OL]B:202 |
44 |
1 |
892 |
f |
B |
x,y,z |
1_555 |
67 |
20 |
9364 |
493.9 |
-0.6 |
0.555 |
3 |
0 |
0 |
0.050 |
Average: |
499.6 |
-0.5 |
0.607 |
4 |
0 |
0 |
0.050 |
2 |
4 |
|
B |
53 |
12 |
9364 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
55 |
16 |
9364 |
494.5 |
-5.6 |
0.300 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
49 |
18 |
9202 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
52 |
21 |
9364 |
485.5 |
-5.0 |
0.331 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
56 |
14 |
9363 |
◊ |
A |
y,x,-z+1 |
7_556 |
52 |
16 |
9202 |
449.6 |
-4.6 |
0.343 |
4 |
0 |
0 |
0.072 |
5 |
7 |
|
A |
47 |
11 |
9202 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
47 |
15 |
9363 |
443.4 |
-4.5 |
0.322 |
7 |
0 |
0 |
0.010 |
6 |
8 |
|
C |
35 |
15 |
9363 |
◊ |
C |
y,x,-z+1 |
7_556 |
37 |
15 |
9363 |
359.3 |
-4.8 |
0.300 |
4 |
0 |
0 |
0.037 |
7 |
9 |
|
C |
31 |
9 |
9363 |
◊ |
A |
x,y,z |
1_555 |
49 |
12 |
9202 |
349.1 |
1.3 |
0.793 |
9 |
0 |
0 |
0.030 |
8 |
10 |
|
C |
42 |
11 |
9363 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
33 |
11 |
9364 |
278.9 |
-0.1 |
0.713 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
26 |
8 |
9364 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
9202 |
265.3 |
2.8 |
0.898 |
5 |
3 |
0 |
0.000 |
10 |
12 |
|
B |
19 |
7 |
9364 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
13 |
5 |
9202 |
115.2 |
0.4 |
0.730 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
C |
13 |
4 |
9363 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
13 |
4 |
9363 |
108.8 |
0.5 |
0.760 |
0 |
4 |
0 |
0.000 |
12 |
14 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
9364 |
68.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.214 |
15 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
9363 |
67.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.214 |
16 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
9202 |
67.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.214 |
Average: |
68.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.214 |
13 |
17 |
|
[SO4]C:206 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9363 |
68.5 |
-9.1 |
0.860 |
2 |
0 |
0 |
0.113 |
14 |
18 |
|
A |
10 |
5 |
9202 |
f |
[SO4]C:204 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
5 |
1 |
187 |
67.4 |
-8.9 |
0.865 |
2 |
0 |
0 |
0.110 |
15 |
19 |
|
[CF]A:201 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9202 |
53.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.046 |
20 |
|
[CF]C:201 |
1 |
1 |
129 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
9363 |
52.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.046 |
21 |
|
[CF]B:201 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9364 |
51.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
52.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.046 |
16 |
22 |
|
[SO4]C:205 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
9363 |
52.1 |
-6.5 |
0.861 |
2 |
0 |
0 |
0.083 |
17 |
23 |
|
[4OL]A:202 |
13 |
1 |
896 |
f |
[CF]A:201 |
x,y,z |
1_555 |
1 |
1 |
129 |
50.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
24 |
|
[4OL]B:202 |
9 |
1 |
892 |
f |
[CF]B:201 |
x,y,z |
1_555 |
1 |
1 |
129 |
48.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
25 |
|
[4OL]C:202 |
8 |
1 |
861 |
f |
[CF]C:201 |
x,y,z |
1_555 |
1 |
1 |
129 |
43.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
47.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
18 |
26 |
|
[SO4]C:205 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9202 |
40.6 |
-4.0 |
0.917 |
1 |
0 |
0 |
0.050 |
19 |
27 |
|
[SO4]C:204 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9363 |
37.1 |
-2.8 |
0.986 |
1 |
0 |
0 |
0.004 |
20 |
28 |
|
[SO4]C:206 |
3 |
1 |
185 |
◊ |
A |
y,x,-z+1 |
7_556 |
2 |
1 |
9202 |
35.0 |
-3.1 |
0.966 |
1 |
0 |
0 |
0.040 |
21 |
29 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
[4OL]A:202 |
x,y,z |
1_555 |
4 |
1 |
896 |
26.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.065 |
30 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
[4OL]C:202 |
x,y,z |
1_555 |
4 |
1 |
861 |
26.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.065 |
31 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
[4OL]B:202 |
x,y,z |
1_555 |
4 |
1 |
892 |
24.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
25.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.065 |
22 |
32 |
|
B |
2 |
1 |
9364 |
◊ |
[4OL]B:202 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
2 |
1 |
892 |
14.4 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
|