## |
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 |
39 |
10 |
11216 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
45 |
14 |
11152 |
371.6 |
-8.9 |
0.024 |
0 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
33 |
10 |
11152 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
40 |
11 |
11152 |
328.4 |
-1.2 |
0.601 |
5 |
2 |
0 |
0.000 |
3 |
|
A |
38 |
11 |
11216 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
35 |
10 |
11216 |
325.1 |
-0.9 |
0.632 |
5 |
2 |
0 |
0.000 |
Average: |
326.8 |
-1.1 |
0.616 |
5 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
32 |
12 |
11152 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
11216 |
258.7 |
-3.8 |
0.208 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
[B3P]B:301 |
15 |
1 |
477 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
11152 |
180.4 |
2.8 |
0.344 |
3 |
0 |
0 |
0.000 |
6 |
|
[B3P]A:301 |
15 |
1 |
473 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
11216 |
179.8 |
2.5 |
0.354 |
5 |
0 |
0 |
0.000 |
Average: |
180.1 |
2.7 |
0.349 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
[SCN]B:305 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
11152 |
115.4 |
-4.6 |
0.383 |
1 |
0 |
0 |
0.050 |
6 |
8 |
|
[SCN]A:302 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
11216 |
114.3 |
-4.6 |
0.372 |
1 |
0 |
0 |
0.042 |
7 |
9 |
|
[GOL]B:302 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
11152 |
107.4 |
-0.5 |
0.493 |
2 |
0 |
0 |
0.013 |
8 |
10 |
|
[SCN]A:303 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11216 |
93.1 |
-3.8 |
0.413 |
0 |
0 |
0 |
0.032 |
9 |
11 |
|
[SCN]B:304 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11152 |
93.0 |
-3.9 |
0.432 |
0 |
0 |
0 |
0.039 |
10 |
12 |
|
A |
10 |
5 |
11216 |
◊ |
[B3P]A:301 |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
1 |
473 |
82.9 |
1.4 |
0.403 |
0 |
0 |
0 |
0.000 |
13 |
|
[B3P]B:301 |
7 |
1 |
477 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
11 |
5 |
11152 |
79.2 |
1.6 |
0.471 |
0 |
0 |
0 |
0.000 |
Average: |
81.1 |
1.5 |
0.437 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[SCN]B:303 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11152 |
79.5 |
-0.8 |
0.753 |
1 |
0 |
0 |
0.012 |
12 |
15 |
|
[SCN]A:304 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11216 |
71.3 |
-3.3 |
0.260 |
0 |
0 |
0 |
0.028 |
13 |
16 |
|
[SCN]A:304 |
3 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11152 |
41.1 |
-1.6 |
0.233 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[GOL]B:302 |
1 |
1 |
219 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
11152 |
27.2 |
0.4 |
0.565 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[B3P]B:301 |
3 |
1 |
477 |
◊ |
[SCN]B:303 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
184 |
9.0 |
0.3 |
0.410 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
B |
1 |
1 |
11152 |
◊ |
[SCN]B:303 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
184 |
8.7 |
0.4 |
0.791 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
1 |
1 |
11152 |
x |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11152 |
1.7 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
|