## |
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 |
|
C |
126 |
33 |
6323 |
◊ |
B |
x,y,z |
1_555 |
116 |
29 |
6569 |
1044.1 |
-11.6 |
0.487 |
16 |
0 |
0 |
0.884 |
2 |
|
C |
115 |
29 |
6323 |
◊ |
A |
x,y,z |
1_555 |
122 |
32 |
6498 |
1035.2 |
-11.2 |
0.513 |
16 |
0 |
0 |
0.884 |
3 |
|
B |
116 |
32 |
6569 |
◊ |
A |
x,y,z |
1_555 |
111 |
29 |
6498 |
1016.6 |
-11.0 |
0.423 |
14 |
0 |
0 |
0.884 |
Average: |
1031.9 |
-11.2 |
0.474 |
15 |
0 |
0 |
0.884 |
2 |
4 |
|
B |
45 |
12 |
6569 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
46 |
16 |
6498 |
392.5 |
-2.4 |
0.652 |
3 |
0 |
0 |
0.000 |
5 |
|
B |
42 |
15 |
6569 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
43 |
14 |
6323 |
376.6 |
-4.0 |
0.512 |
2 |
0 |
0 |
0.000 |
Average: |
384.5 |
-3.2 |
0.582 |
3 |
0 |
0 |
0.000 |
3 |
6 |
|
[HBX]A:201 |
8 |
1 |
258 |
cf |
A |
x,y,z |
1_555 |
25 |
10 |
6498 |
147.3 |
4.2 |
0.263 |
0 |
0 |
0 |
0.000 |
7 |
|
[HBX]C:201 |
8 |
1 |
256 |
cf |
C |
x,y,z |
1_555 |
28 |
10 |
6323 |
142.8 |
4.0 |
0.316 |
0 |
0 |
0 |
0.000 |
8 |
|
[HBX]B:201 |
8 |
1 |
255 |
cf |
B |
x,y,z |
1_555 |
26 |
10 |
6569 |
140.7 |
3.9 |
0.298 |
0 |
0 |
0 |
0.000 |
Average: |
143.6 |
4.0 |
0.292 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
A |
10 |
5 |
6498 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
10 |
6 |
6323 |
100.3 |
-0.5 |
0.623 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
13 |
7 |
6569 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
10 |
5 |
6323 |
83.4 |
-0.5 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
91.8 |
-0.5 |
0.625 |
0 |
0 |
0 |
0.000 |
5 |
11 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6323 |
81.1 |
-11.9 |
0.805 |
3 |
0 |
0 |
0.216 |
6 |
12 |
|
A |
12 |
6 |
6498 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
7 |
6569 |
81.0 |
0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6498 |
80.7 |
-12.0 |
0.784 |
5 |
0 |
0 |
0.232 |
8 |
14 |
|
[IPA]B:202 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6569 |
68.8 |
1.8 |
0.250 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
11 |
4 |
6498 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
8 |
3 |
6323 |
66.3 |
0.4 |
0.792 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[IPA]A:203 |
3 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
6498 |
66.1 |
2.1 |
0.286 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[HBX]A:201 |
6 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
6323 |
65.4 |
2.2 |
0.042 |
1 |
0 |
0 |
0.000 |
18 |
|
[HBX]C:201 |
7 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
6569 |
63.3 |
2.1 |
0.016 |
1 |
0 |
0 |
0.000 |
19 |
|
[HBX]B:201 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
6498 |
62.7 |
1.9 |
0.012 |
1 |
0 |
0 |
0.000 |
Average: |
63.8 |
2.1 |
0.023 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
[HBX]B:201 |
2 |
1 |
255 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6498 |
11.7 |
0.3 |
0.921 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
2 |
1 |
6569 |
◊ |
[HBX]C:201 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
256 |
7.3 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
9.5 |
0.1 |
0.793 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
B |
1 |
1 |
6569 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6569 |
1.4 |
0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
1 |
1 |
6498 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6498 |
0.8 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
|