| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
H |
126 |
35 |
11731 |
◊ |
L |
x,y,z |
1_555 |
103 |
24 |
2924 |
1108.2 |
-10.6 |
0.470 |
17 |
9 |
1 |
0.443 |
2 |
|
D |
60 |
10 |
1461 |
◊ |
H |
x,y,z |
1_555 |
68 |
17 |
11731 |
607.3 |
-4.3 |
0.691 |
4 |
2 |
0 |
0.018 |
3 |
|
H |
36 |
9 |
11731 |
◊ |
H |
-x,y,-z |
2_555 |
36 |
9 |
11731 |
402.2 |
1.6 |
0.737 |
1 |
2 |
0 |
0.000 |
4 |
|
[22U]H:301 |
24 |
1 |
600 |
f |
H |
x,y,z |
1_555 |
62 |
23 |
11731 |
400.3 |
-4.0 |
0.377 |
3 |
0 |
0 |
0.156 |
5 |
|
H |
36 |
10 |
11731 |
x |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
25 |
7 |
11731 |
249.9 |
-1.9 |
0.279 |
0 |
0 |
0 |
0.000 |
6 |
|
L |
21 |
5 |
2924 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
22 |
6 |
11731 |
203.7 |
0.0 |
0.727 |
2 |
2 |
0 |
0.000 |
7 |
|
[GOL]H:309 |
6 |
1 |
211 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
11731 |
132.1 |
-0.8 |
0.552 |
2 |
0 |
0 |
0.049 |
8 |
|
[DMS]H:302 |
4 |
1 |
209 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
11731 |
131.6 |
2.0 |
0.447 |
1 |
0 |
0 |
0.000 |
9 |
|
H |
11 |
4 |
11731 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
11731 |
125.7 |
3.1 |
0.931 |
2 |
8 |
0 |
0.000 |
10 |
|
[GOL]H:304 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
11731 |
100.3 |
-0.1 |
0.597 |
2 |
0 |
0 |
0.030 |
11 |
|
[GOL]H:308 |
6 |
1 |
216 |
f |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
7 |
11731 |
96.5 |
-0.6 |
0.491 |
0 |
0 |
0 |
0.018 |
12 |
|
[GOL]H:307 |
5 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
11731 |
96.4 |
0.4 |
0.631 |
2 |
0 |
0 |
0.013 |
13 |
|
[GOL]H:306 |
6 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
11731 |
90.1 |
1.2 |
0.712 |
4 |
0 |
0 |
0.000 |
14 |
|
[PO4]H:303 |
5 |
1 |
189 |
f |
H |
-x+1,y,-z+1 |
2_656 |
12 |
6 |
11731 |
88.3 |
-4.2 |
0.901 |
0 |
0 |
0 |
0.122 |
15 |
|
H |
11 |
4 |
11731 |
◊ |
[GOL]H:305 |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
1 |
219 |
84.1 |
0.4 |
0.627 |
0 |
0 |
0 |
0.000 |
16 |
|
[NA]H:311 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
11731 |
82.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.332 |
17 |
|
L |
9 |
3 |
2924 |
◊ |
L |
-x,y,-z+1 |
2_556 |
9 |
3 |
2924 |
70.0 |
-0.7 |
0.655 |
0 |
0 |
0 |
0.000 |
18 |
|
[NA]H:310 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11731 |
58.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.232 |
19 |
|
H |
4 |
1 |
11731 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
2924 |
58.0 |
1.1 |
0.785 |
1 |
0 |
0 |
0.000 |
20 |
|
[GOL]H:308 |
3 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
11731 |
56.6 |
-0.1 |
0.499 |
1 |
0 |
0 |
0.000 |
21 |
|
D |
4 |
1 |
1461 |
◊ |
H |
-x,y,-z |
2_555 |
7 |
4 |
11731 |
48.2 |
0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
22 |
|
[GOL]H:307 |
4 |
1 |
219 |
◊ |
[PO4]H:303 |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
189 |
40.5 |
-1.9 |
0.793 |
1 |
0 |
0 |
0.069 |
23 |
|
[GOL]H:306 |
3 |
1 |
216 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
11731 |
38.4 |
0.7 |
0.669 |
0 |
0 |
0 |
0.000 |
24 |
|
[NA]H:310 |
1 |
1 |
125 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
3 |
11731 |
38.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[GOL]H:309 |
3 |
1 |
211 |
f |
[22U]H:301 |
x,y,z |
1_555 |
5 |
1 |
600 |
36.3 |
0.5 |
0.539 |
0 |
0 |
0 |
0.000 |
26 |
|
[GOL]H:304 |
2 |
1 |
219 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
11731 |
32.4 |
0.6 |
0.733 |
0 |
0 |
0 |
0.000 |
27 |
|
[GOL]H:307 |
2 |
1 |
219 |
f |
[GOL]H:306 |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
216 |
30.4 |
-0.4 |
0.517 |
1 |
0 |
0 |
0.100 |
28 |
|
[GOL]H:306 |
3 |
1 |
216 |
◊ |
[PO4]H:303 |
x,y,z |
1_555 |
4 |
1 |
189 |
30.2 |
-1.5 |
0.668 |
1 |
0 |
0 |
0.056 |
29 |
|
[GOL]H:304 |
3 |
1 |
219 |
f |
[DMS]H:302 |
x,y,z |
1_555 |
2 |
1 |
209 |
27.0 |
0.7 |
0.448 |
0 |
0 |
0 |
0.000 |
30 |
|
[GOL]H:305 |
1 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
11731 |
25.0 |
-0.0 |
0.264 |
0 |
0 |
0 |
0.000 |
31 |
|
[GOL]H:306 |
3 |
1 |
216 |
◊ |
[GOL]H:304 |
x,y,z |
1_555 |
2 |
1 |
219 |
23.9 |
0.3 |
0.612 |
1 |
0 |
0 |
0.000 |
32 |
|
H |
1 |
1 |
11731 |
x |
H |
x-1/2,y-1/2,z |
3_445 |
3 |
2 |
11731 |
13.0 |
-0.3 |
0.277 |
0 |
0 |
0 |
0.000 |
33 |
|
[GOL]H:305 |
1 |
1 |
219 |
f |
L |
x,y,z |
1_555 |
3 |
2 |
2924 |
12.4 |
-0.3 |
0.574 |
0 |
0 |
0 |
0.100 |
34 |
|
[PO4]H:303 |
2 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
11731 |
2.9 |
-0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
35 |
|
H |
1 |
1 |
11731 |
◊ |
H |
-x,y,-z+1 |
2_556 |
1 |
1 |
11731 |
0.3 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
36 |
|
[GOL]H:307 |
1 |
1 |
219 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
11731 |
0.2 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
|