| ## |
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 |
|
X |
36 |
11 |
8262 |
x |
X |
x-1/2,-y+3/2,-z |
4_465 |
29 |
9 |
8262 |
274.1 |
-1.4 |
0.207 |
4 |
0 |
0 |
0.000 |
| 2 |
2 |
|
X |
17 |
5 |
8262 |
x |
X |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
6 |
8262 |
118.3 |
-0.3 |
0.456 |
1 |
1 |
0 |
0.000 |
| 3 |
3 |
|
X |
18 |
8 |
8262 |
x |
X |
x,y-1,z |
1_545 |
19 |
9 |
8262 |
113.3 |
0.7 |
0.619 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[BMA]X:188 |
9 |
1 |
289 |
f |
X |
x,y,z |
1_555 |
18 |
6 |
8262 |
101.2 |
3.1 |
0.438 |
4 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[EDO]X:404 |
4 |
1 |
185 |
◊ |
X |
x,y,z |
1_555 |
14 |
8 |
8262 |
99.2 |
3.1 |
0.436 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[EDO]X:401 |
4 |
1 |
182 |
◊ |
X |
x,y,z |
1_555 |
18 |
7 |
8262 |
95.1 |
3.6 |
0.494 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[BMA]X:189 |
9 |
1 |
290 |
f |
X |
x,y,z |
1_555 |
19 |
6 |
8262 |
91.0 |
1.4 |
0.257 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[BMA]X:187 |
9 |
1 |
289 |
f |
X |
x,y,z |
1_555 |
16 |
5 |
8262 |
87.5 |
1.8 |
0.350 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]X:403 |
4 |
1 |
183 |
f |
X |
x,y,z |
1_555 |
10 |
4 |
8262 |
82.6 |
2.6 |
0.370 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[BMA]X:190 |
7 |
1 |
294 |
f |
X |
x,y,z |
1_555 |
21 |
5 |
8262 |
81.8 |
1.6 |
0.375 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]X:402 |
4 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
13 |
6 |
8262 |
80.1 |
1.7 |
0.652 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[BMA]X:187 |
6 |
1 |
289 |
◊ |
X |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
5 |
8262 |
79.5 |
1.5 |
0.415 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[MAN]X:186 |
8 |
1 |
302 |
◊ |
X |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
6 |
8262 |
78.4 |
1.3 |
0.366 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
X |
13 |
5 |
8262 |
x |
X |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
8262 |
68.5 |
-0.3 |
0.449 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[MAN]X:186 |
7 |
1 |
302 |
f |
X |
x,y,z |
1_555 |
14 |
5 |
8262 |
68.0 |
1.0 |
0.323 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[BMA]X:191 |
6 |
1 |
292 |
cf |
[BMA]X:190 |
x,y,z |
1_555 |
4 |
1 |
294 |
59.0 |
1.6 |
0.166 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[BMA]X:189 |
7 |
1 |
290 |
◊ |
X |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
8262 |
56.8 |
1.6 |
0.352 |
1 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]X:402 |
4 |
1 |
185 |
◊ |
X |
x-1,y,z |
1_455 |
5 |
3 |
8262 |
56.4 |
2.6 |
0.957 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[BMA]X:189 |
7 |
1 |
290 |
cf |
[BMA]X:188 |
x,y,z |
1_555 |
5 |
1 |
289 |
55.7 |
1.0 |
0.118 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[MAN]X:186 |
7 |
1 |
302 |
◊ |
[BMA]X:191 |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
1 |
292 |
54.9 |
1.8 |
0.137 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[BMA]X:190 |
8 |
1 |
294 |
cf |
[BMA]X:189 |
x,y,z |
1_555 |
5 |
1 |
290 |
54.2 |
1.3 |
0.102 |
0 |
0 |
0 |
0.000 |
22 |
|
[BMA]X:188 |
8 |
1 |
289 |
cf |
[BMA]X:187 |
x,y,z |
1_555 |
6 |
1 |
289 |
52.5 |
1.1 |
0.084 |
0 |
0 |
0 |
0.000 |
| Average: |
53.4 |
1.2 |
0.093 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[BMA]X:188 |
7 |
1 |
289 |
◊ |
X |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8262 |
51.3 |
0.9 |
0.278 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
X |
5 |
3 |
8262 |
x |
X |
x-1,y,z |
1_455 |
8 |
5 |
8262 |
49.9 |
1.1 |
0.805 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[BMA]X:187 |
7 |
1 |
289 |
cf |
[MAN]X:186 |
x,y,z |
1_555 |
5 |
1 |
302 |
48.1 |
0.9 |
0.109 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[BMA]X:191 |
5 |
1 |
292 |
f |
X |
x,y,z |
1_555 |
5 |
3 |
8262 |
45.0 |
1.7 |
0.505 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[CA]X:300 |
1 |
1 |
85 |
f |
X |
x,y,z |
1_555 |
5 |
4 |
8262 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[MAN]X:186 |
5 |
1 |
302 |
◊ |
[BMA]X:190 |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
294 |
41.3 |
1.4 |
0.169 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
X |
7 |
2 |
8262 |
◊ |
[EDO]X:403 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
183 |
40.0 |
0.8 |
0.823 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[BMA]X:190 |
4 |
1 |
294 |
◊ |
X |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
8262 |
36.0 |
1.2 |
0.340 |
2 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[EDO]X:404 |
2 |
1 |
185 |
◊ |
[EDO]X:403 |
x,y,z |
1_555 |
3 |
1 |
183 |
34.6 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
X |
4 |
2 |
8262 |
◊ |
[BMA]X:189 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
290 |
21.8 |
0.4 |
0.413 |
1 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]X:401 |
2 |
1 |
182 |
f |
[EDO]X:403 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
183 |
4.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
X |
1 |
1 |
8262 |
◊ |
[BMA]X:190 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
294 |
4.2 |
0.1 |
0.352 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
X |
1 |
1 |
8262 |
◊ |
[BMA]X:191 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
292 |
3.8 |
0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[MAN]X:186 |
1 |
1 |
302 |
◊ |
[BMA]X:189 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
290 |
2.4 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
X |
1 |
1 |
8262 |
f |
[EDO]X:404 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
185 |
1.9 |
0.1 |
0.830 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[BMA]X:187 |
1 |
1 |
289 |
◊ |
[BMA]X:191 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
292 |
0.7 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|