Figure 1: Optimized Structural of Keratin (a) With atomic symbol (b) With numbering of atom
S.No. |
Bond Lengeth (Ang.) |
Bond Angle (deg) |
Dihedral Angles(deg) |
|||
1 |
R(1,2) |
1.52 |
A(3,1,4) |
119.37 |
A(3,1,5,4) |
70.098 |
2 |
R(1.3) |
1.29 |
A(1,2,10) |
107.46 |
A(1,26,9) |
120.34 |
3 |
R(1,4) |
1.24 |
A(7,6,8) |
105.41 |
A(2,6,7,8) |
120.88 |
4 |
R(4,5) |
1.25 |
A(6,2,10) |
111.14 |
A(2,10,14,13) |
122.82 |
5 |
R(2,6) |
1.44 |
A(13,10,14) |
110.5 |
A(12,11,10,14) |
12.97 |
6 |
R(2,10) |
1.52 |
A(10,11,12) |
102.75 |
A(12,15,18,17) |
118.90 |
7 |
R(10,13) |
1.11 |
A(11,12,15) |
104.46 |
A(15,18,17,16) |
38.48 |
8 |
R(10,11) |
1.83 |
A(15,16,19) |
112.91 |
A(16,20.21.19) |
39.17 |
9 |
R(11,12) |
2.07 |
A(19,25,26) |
111.34 |
A(21,23,22,16) |
36.64 |
10 |
R(12,15) |
1.84 |
A(16,19,24) |
120.20 |
A(24,19,25,16) |
177.42 |
11 |
R(15,16) |
1.52 |
|
|
|
|
12 |
R(16,21) |
1.44 |
|
|
|
|
13 |
R(16,19) |
1.53 |
|
|
|
|
14 |
R(19,25) |
1.34 |
|
|
|
|
15 |
R(19,24) |
1.23 |
|
|
|
|
Table 1: Selected optimized parameters of Keratin
Figure 1: Optimized Structural of Keratin (a) With atomic symbol (b) With numbering of atom
Figure 2: (a) Molecular surface (b) Electrostatic potential surface (c) electron density and (d) molecular electrostatic
Figure 3: Charge density analysis of keratin at different magnification
Figure 4: Density of State (DOS) of Keratin
Figure 5: Partial Density of State (PDOS) of Keratin
Tables at a glance
Figures at a glance