| ## |
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 |
96 |
30 |
8865 |
◊ |
A |
x,y,z |
1_555 |
97 |
30 |
8791 |
913.8 |
-3.9 |
0.775 |
13 |
4 |
0 |
0.490 |
| 2 |
2 |
|
A |
89 |
28 |
8791 |
◊ |
A |
-x,-y,z |
2_555 |
88 |
28 |
8791 |
857.9 |
-1.1 |
0.858 |
10 |
4 |
0 |
0.312 |
3 |
|
B |
86 |
28 |
8865 |
◊ |
B |
-x,-y,z |
2_555 |
86 |
28 |
8865 |
832.7 |
-1.4 |
0.887 |
8 |
4 |
0 |
0.312 |
| Average: |
845.3 |
-1.2 |
0.872 |
9 |
4 |
0 |
0.312 |
| 3 |
4 |
|
A |
68 |
19 |
8791 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
77 |
23 |
8791 |
700.9 |
-7.3 |
0.395 |
7 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
53 |
16 |
8865 |
x |
B |
-x+1/2,y-1/2,-z |
3_545 |
52 |
15 |
8865 |
451.2 |
-4.3 |
0.548 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[DKA]A:201 |
12 |
1 |
384 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
8791 |
164.3 |
5.5 |
0.030 |
3 |
0 |
0 |
0.000 |
7 |
|
[DKA]B:201 |
11 |
1 |
357 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
8865 |
159.8 |
5.8 |
0.024 |
3 |
0 |
0 |
0.000 |
| Average: |
162.0 |
5.7 |
0.027 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[DKA]B:201 |
10 |
1 |
357 |
◊ |
B |
-x,-y,z |
2_555 |
22 |
9 |
8865 |
146.8 |
4.0 |
0.029 |
0 |
0 |
0 |
0.000 |
9 |
|
[DKA]A:201 |
11 |
1 |
384 |
◊ |
A |
-x,-y,z |
2_555 |
23 |
9 |
8791 |
141.0 |
3.4 |
0.016 |
0 |
0 |
0 |
0.000 |
| Average: |
143.9 |
3.7 |
0.022 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
16 |
7 |
8865 |
◊ |
A |
-x,-y,z |
2_555 |
17 |
7 |
8791 |
129.1 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
B |
12 |
5 |
8865 |
◊ |
B |
-x,-y+1,z |
2_565 |
12 |
5 |
8865 |
98.5 |
-1.9 |
0.345 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[PEG]A:204 |
6 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
8791 |
94.5 |
0.9 |
0.247 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[NO3]B:202 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8865 |
93.4 |
3.1 |
0.977 |
3 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[NO3]A:203 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8791 |
91.7 |
1.5 |
0.806 |
5 |
0 |
0 |
0.068 |
| 12 |
15 |
|
[NO3]A:202 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
8791 |
86.1 |
3.4 |
0.982 |
3 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[PEG]A:204 |
5 |
1 |
255 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
2 |
8791 |
55.2 |
1.5 |
0.303 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
-x,-y,z |
2_555 |
10 |
3 |
8791 |
46.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.660 |
| 15 |
18 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
8791 |
45.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.406 |
| 16 |
19 |
|
[PEG]A:204 |
4 |
1 |
255 |
f |
[DKA]A:201 |
x,y,z |
1_555 |
2 |
1 |
384 |
33.0 |
2.2 |
0.291 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
B |
4 |
2 |
8865 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
8865 |
29.4 |
0.7 |
0.602 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
A |
1 |
1 |
8791 |
◊ |
A |
-x+1,-y,z |
2_655 |
1 |
1 |
8791 |
16.9 |
-0.5 |
0.140 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
[DKA]A:201 |
x,y,z |
1_555 |
2 |
1 |
384 |
16.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[PEG]A:204 |
2 |
1 |
255 |
f |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
4 |
2 |
8791 |
12.1 |
0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
A |
1 |
1 |
8791 |
◊ |
[NO3]A:203 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
159 |
7.8 |
0.2 |
0.904 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
A |
1 |
1 |
8791 |
x |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
8791 |
2.2 |
-0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
[PEG]A:204 |
x,y,z |
1_555 |
1 |
1 |
255 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|