## |
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 |
118 |
32 |
12599 |
◊ |
L |
-x+1/2,y-1/2,-z |
4_545 |
121 |
33 |
12570 |
1119.2 |
-21.4 |
0.002 |
14 |
0 |
0 |
0.614 |
2 |
|
H |
117 |
32 |
12653 |
◊ |
H |
-x,y,-z-1 |
2_554 |
116 |
32 |
12653 |
1115.8 |
-20.3 |
0.003 |
12 |
0 |
0 |
0.614 |
Average: |
1117.5 |
-20.9 |
0.003 |
13 |
0 |
0 |
0.614 |
2 |
3 |
|
A |
71 |
20 |
12599 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
70 |
20 |
12599 |
699.9 |
-3.2 |
0.441 |
10 |
0 |
0 |
0.000 |
4 |
|
L |
72 |
20 |
12570 |
◊ |
H |
x,y,z |
1_555 |
72 |
20 |
12653 |
694.2 |
-3.2 |
0.425 |
12 |
0 |
0 |
0.000 |
Average: |
697.1 |
-3.2 |
0.433 |
11 |
0 |
0 |
0.000 |
3 |
5 |
|
H |
59 |
18 |
12653 |
◊ |
A |
x,y,z |
1_555 |
59 |
18 |
12599 |
557.7 |
3.4 |
0.877 |
10 |
2 |
0 |
0.000 |
4 |
6 |
|
H |
29 |
7 |
12653 |
◊ |
H |
-x,y,-z |
2_555 |
29 |
7 |
12653 |
250.3 |
1.5 |
0.789 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
L |
26 |
9 |
12570 |
◊ |
A |
-x,y,-z |
2_555 |
28 |
9 |
12599 |
224.7 |
3.1 |
0.894 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
[GOL]H:301 |
6 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
21 |
8 |
12653 |
134.9 |
0.2 |
0.643 |
4 |
0 |
0 |
0.074 |
7 |
9 |
|
[GOL]A:301 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
12599 |
131.0 |
0.1 |
0.642 |
6 |
0 |
0 |
0.064 |
8 |
10 |
|
[EDO]L:303 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
20 |
7 |
12570 |
114.1 |
3.9 |
0.509 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[PO4]H:306 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
21 |
12 |
12653 |
95.2 |
-8.1 |
0.281 |
4 |
0 |
0 |
0.471 |
10 |
12 |
|
[PO4]A:305 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
12599 |
94.8 |
-8.1 |
0.278 |
4 |
0 |
0 |
0.246 |
11 |
13 |
|
[PO4]L:304 |
5 |
1 |
189 |
f |
L |
x,y,z |
1_555 |
21 |
12 |
12570 |
93.6 |
-8.0 |
0.291 |
4 |
0 |
0 |
0.277 |
12 |
14 |
|
[EDO]H:305 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
19 |
9 |
12653 |
92.3 |
3.1 |
0.505 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]A:304 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
12599 |
92.0 |
2.1 |
0.248 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
L |
10 |
5 |
12570 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
13 |
7 |
12599 |
82.8 |
1.1 |
0.675 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
10 |
4 |
12599 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
11 |
5 |
12653 |
58.2 |
1.2 |
0.763 |
1 |
0 |
0 |
0.000 |
18 |
|
L |
8 |
4 |
12570 |
◊ |
H |
-x,y,-z-1 |
2_554 |
7 |
4 |
12653 |
38.3 |
0.5 |
0.664 |
0 |
0 |
0 |
0.000 |
Average: |
59.8 |
0.9 |
0.701 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]H:304 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
12653 |
72.5 |
1.7 |
0.238 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
L |
5 |
1 |
12570 |
◊ |
H |
-x,y,-z |
2_555 |
7 |
2 |
12653 |
60.7 |
0.3 |
0.635 |
2 |
0 |
0 |
0.009 |
17 |
21 |
|
A |
9 |
5 |
12599 |
◊ |
A |
-x+1,y,-z |
2_655 |
9 |
5 |
12599 |
51.8 |
-0.6 |
0.455 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]H:304 |
3 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
8 |
5 |
12570 |
50.8 |
1.6 |
0.270 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
L |
8 |
2 |
12570 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
2 |
12599 |
46.2 |
0.8 |
0.763 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]H:304 |
4 |
1 |
184 |
f |
H |
-x,y,-z |
2_555 |
2 |
1 |
12653 |
42.4 |
1.6 |
0.986 |
3 |
0 |
0 |
0.000 |
21 |
25 |
|
L |
3 |
2 |
12570 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
7 |
4 |
12653 |
42.3 |
1.8 |
0.877 |
2 |
2 |
0 |
0.000 |
22 |
26 |
|
[CO]H:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
10 |
6 |
12653 |
41.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.236 |
27 |
|
[CO]A:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
12599 |
40.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.236 |
28 |
|
[CO]L:301 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
10 |
6 |
12570 |
40.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.236 |
Average: |
41.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.236 |
23 |
29 |
|
[CO]H:303 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
5 |
12653 |
40.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.209 |
30 |
|
[CO]L:302 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
6 |
5 |
12570 |
40.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.209 |
31 |
|
[CO]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
5 |
12599 |
40.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.209 |
Average: |
40.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.209 |
24 |
32 |
|
[PO4]A:305 |
3 |
1 |
190 |
◊ |
[CO]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.131 |
33 |
|
[PO4]L:304 |
4 |
1 |
189 |
◊ |
[CO]L:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.131 |
34 |
|
[PO4]H:306 |
3 |
1 |
189 |
◊ |
[CO]H:303 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
31.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.131 |
25 |
35 |
|
[PO4]L:304 |
3 |
1 |
189 |
◊ |
[CO]L:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.134 |
26 |
36 |
|
[PO4]A:305 |
4 |
1 |
190 |
◊ |
[CO]A:303 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.126 |
37 |
|
[PO4]H:306 |
3 |
1 |
189 |
◊ |
[CO]H:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.126 |
Average: |
31.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.126 |
27 |
38 |
|
L |
4 |
1 |
12570 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
12599 |
28.5 |
0.6 |
0.801 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[CO]A:303 |
1 |
1 |
125 |
f |
[CO]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
40 |
|
[CO]L:302 |
1 |
1 |
125 |
f |
[CO]L:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
30 |
41 |
|
[CO]H:303 |
1 |
1 |
125 |
f |
[CO]H:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
42 |
|
L |
1 |
1 |
12570 |
◊ |
L |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
12570 |
1.1 |
0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
|