## |
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 |
|
A |
54 |
19 |
9172 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
50 |
17 |
8844 |
510.4 |
-6.8 |
0.275 |
1 |
1 |
0 |
0.000 |
2 |
2 |
|
A |
54 |
13 |
9172 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
53 |
14 |
8916 |
493.0 |
-4.3 |
0.403 |
9 |
0 |
0 |
0.000 |
3 |
3 |
|
C |
56 |
16 |
8916 |
◊ |
A |
y,x,-z+1 |
7_556 |
53 |
15 |
9172 |
483.6 |
-4.5 |
0.424 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
44 |
11 |
8844 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
47 |
13 |
8844 |
416.1 |
-3.6 |
0.490 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
C |
34 |
11 |
8916 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
9172 |
387.2 |
1.6 |
0.830 |
7 |
0 |
0 |
0.000 |
6 |
6 |
|
C |
44 |
18 |
8916 |
◊ |
C |
y,x,-z+1 |
7_556 |
43 |
18 |
8916 |
359.4 |
-4.2 |
0.395 |
4 |
0 |
0 |
0.000 |
7 |
7 |
|
C |
35 |
10 |
8916 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
24 |
7 |
8844 |
247.7 |
0.6 |
0.734 |
4 |
0 |
0 |
0.000 |
8 |
8 |
|
C |
19 |
7 |
8916 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
19 |
7 |
8916 |
178.9 |
-0.8 |
0.598 |
0 |
0 |
0 |
0.007 |
9 |
9 |
|
[DBH]B:216 |
10 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
8844 |
169.1 |
-0.1 |
0.533 |
1 |
0 |
0 |
0.002 |
10 |
|
[DBH]C:216 |
10 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
31 |
11 |
8916 |
162.1 |
1.3 |
0.641 |
2 |
0 |
0 |
0.002 |
Average: |
165.6 |
0.6 |
0.587 |
2 |
0 |
0 |
0.002 |
10 |
11 |
|
[DBH]A:216 |
10 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
9172 |
166.5 |
2.2 |
0.530 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[EU]A:206 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
9172 |
129.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.092 |
13 |
|
[EU]C:206 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
8916 |
128.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.092 |
14 |
|
[EU]B:206 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8844 |
85.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
114.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.092 |
12 |
15 |
|
B |
21 |
7 |
8844 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
14 |
6 |
9172 |
123.2 |
-0.0 |
0.721 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]B:221 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
10 |
8844 |
111.6 |
-19.8 |
0.789 |
5 |
0 |
0 |
0.068 |
14 |
17 |
|
[SO4]A:221 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
9172 |
105.7 |
-19.3 |
0.780 |
6 |
0 |
0 |
0.061 |
15 |
18 |
|
[SO4]C:221 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
11 |
8916 |
104.9 |
-18.9 |
0.777 |
6 |
0 |
0 |
0.343 |
16 |
19 |
|
[GOL]C:183 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
8916 |
103.4 |
-1.3 |
0.396 |
3 |
0 |
0 |
0.041 |
17 |
20 |
|
[GOL]A:201 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9172 |
82.5 |
0.2 |
0.701 |
2 |
0 |
0 |
0.002 |
18 |
21 |
|
[GOL]C:201 |
6 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
8916 |
81.9 |
0.8 |
0.760 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
B |
6 |
3 |
8844 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
9172 |
67.7 |
0.2 |
0.684 |
1 |
1 |
0 |
0.000 |
20 |
23 |
|
[DBH]B:216 |
7 |
1 |
277 |
f |
[EU]B:206 |
x,y,z |
1_555 |
1 |
1 |
216 |
64.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.028 |
24 |
|
[DBH]A:216 |
4 |
1 |
277 |
f |
[EU]A:206 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
|
[DBH]C:216 |
5 |
1 |
275 |
f |
[EU]C:206 |
x,y,z |
1_555 |
1 |
1 |
216 |
60.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
62.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.028 |
21 |
26 |
|
[CL]C:187 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
8916 |
63.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.136 |
22 |
27 |
|
[GOL]C:184 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8916 |
59.8 |
-0.7 |
0.428 |
1 |
0 |
0 |
0.018 |
23 |
28 |
|
[GOL]C:183 |
4 |
1 |
221 |
◊ |
C |
y,x,-z+1 |
7_556 |
13 |
5 |
8916 |
57.1 |
0.2 |
0.639 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[CL]C:186 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8916 |
52.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.112 |
25 |
30 |
|
B |
8 |
5 |
8844 |
f |
[CL]B:183 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
125 |
46.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.016 |
26 |
31 |
|
[GOL]C:184 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9172 |
45.6 |
0.4 |
0.646 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[CL]C:185 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
8916 |
45.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.093 |
33 |
|
[CL]A:183 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9172 |
45.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
45.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.093 |
28 |
34 |
|
[GOL]C:201 |
4 |
1 |
219 |
f |
A |
y,x,-z+1 |
7_556 |
2 |
1 |
9172 |
37.6 |
0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[GOL]A:201 |
3 |
1 |
218 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
8916 |
37.4 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[CL]C:186 |
1 |
1 |
125 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
2 |
8916 |
29.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.049 |
31 |
37 |
|
[CL]C:185 |
1 |
1 |
125 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
1 |
8916 |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.053 |
32 |
38 |
|
[CL]B:183 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8844 |
28.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO4]C:221 |
4 |
1 |
186 |
f |
[EU]C:206 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.036 |
40 |
|
[SO4]A:221 |
4 |
1 |
187 |
f |
[EU]A:206 |
x,y,z |
1_555 |
1 |
1 |
216 |
11.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
13.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.036 |
34 |
41 |
|
[SO4]B:221 |
1 |
1 |
185 |
f |
[EU]B:206 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|