Chemistry Reference
In-Depth Information
TABLE 2.7
Calculated Coordination Number of Water Molecules for the Wild-Type  α -Synuclein at 4, 5, 6, and 
7 Å for Each ns of Our MD Simulations via Integration of the Radial Distribution Functions 
Obtained for Each Residue
1 ns
2 ns
3 ns
4 ns
4 Å 
CN
5 Å 
CN
6 Å 
CN
7 Å 
CN
4 Å 
CN
5 Å 
CN
6 Å 
CN
7 Å 
CN
4 Å 
CN
5 Å 
CN
6 Å 
CN
7 Å 
CN
4 Å 
CN
5 Å 
CN
6 Å 
CN
7 Å 
CN
Residue
1.M
4.9
11.5
22.0
37.2
4.5
10.3
20.0
33.7
4.3
10.0
19.3
32.5
4.4
10.2
19.6
33.0
25.G
2.5
5.7
11.1
20.6
2.6
5.9
11.5
20.9
2.4
5.6
10.9
20.1
2.4
5.6
11.0
20.3
41.G
4.5
10.5
19.0
32.5
4.5
10.5
19.3
33.0
4.6
10.8
19.7
33.7
4.6
10.8
19.7
33.8
51.G
2.2
5.3
10.6
20.3
2.5
5.9
11.5
21.6
2.3
5.5
11.0
20.9
2.3
5.5
10.8
20.8
53.A/T
2.6
6.4
12.6
22.5
2.9
7.1
13.8
24.4
2.9
7.1
13.8
24.3
2.8
6.9
13.5
23.9
54.T
2.3
5.9
12.3
23.0
2.5
6.3
12.9
23.7
2.6
6.5
13.2
24.1
2.6
6.5
13.2
23.9
59.T
2.3
5.7
11.9
21.6
2.5
6.4
13.1
23.4
2.3
5.9
12.4
22.5
2.3
5.9
12.2
22.2
63.V
2.2
5.8
12.2
22.9
2.3
6.0
12.5
23.4
2.3
5.9
12.4
23.3
2.2
5.9
12.4
23.4
98.D
4.5
10.8
20.2
33.4
4.4
10.7
20.4
34.4
4.5
10.8
20.6
35.1
4.1
9.6
18.1
30.4
106.G
4.1
10.1
19.3
33.8
4.3
10.4
19.5
33.8
4.4
10.6
20.1
34.7
4.6
11.4
21.5
36.2
110.E
4.5
11.2
21.8
36.2
4.5
11.2
21.7
36.1
4.5
11.3
22.2
37.4
4.6
11.6
22.6
37.6
118.V
2.0
5.3
11.6
22.8
1.8
4.8
10.8
21.7
1.8
4.8
10.6
21.3
1.9
5.2
11.4
22.4
130.E
4.2
10.2
19.9
34.4
4.5
11.3
22.1
37.4
4.6
11.5
22.5
37.8
4.7
11.6
22.2
37.4
135.D
4.5
10.8
20.9
35.2
4.4
10.8
20.8
35.2
4.2
10.2
20.0
33.9
4.4
10.7
20.5
34.7
139.E
4.5
11.2
21.8
36.7
4.4
11.0
21.5
36.5
4.6
11.4
22.2
37.3
4.7
11.6
22.6
38.0
140.A
4.9
12.0
23.2
38.7
5.1
12.3
23.6
39.4
5.3
12.6
24.0
39.8
5.0
12.1
23.3
39.1
The.underlined.values.are.the.most.hydrated.residues.
 
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