Amino Acids in Nine Ligand-Prefer Ramachandran Regions
Table 2
Molecular potential energy for 20 amino acids in nine ligand-prefer Ramachandran regions (values in KJ/mol).
AA
Average1
I
II
III
IV
V
VI
VII
VIII
IX
I
69.8
72.1
84.7
84.4
69.8
82.4
77.6
64.8
71.4
78.4
V
47.4
45.5
59.0
58.2
72.2
63.0
55.7
69.7
61.7
62.6
L
70.6
73.9
74.7
71.9
87.6
69.7
73.8
82.1
73.2
79.1
F
80.0
91.2
90.3
90.6
99.7
98.1
91.7
90.0
82.0
81.3
C
38.0
37.7
42.2
42.3
43.6
43.9
46.5
42.9
40.4
56.9
M
59
63.5
55.4
67.2
71.7
70.0
67.5
104.9
61.8
91.2
A
31.9
31.7
37.6
33.4
31.9
38.6
30.7
32.8
33.4
29.4
G
27.2
24.3
30.6
30.9
36.9
35.9
37.2
31.4
34.1
31.3
T
49.7
44.5
51.3
53.3
54.5
46.4
51.2
56.0
69.1
47.5
S
42.6
44.4
44.3
45.5
48.5
47.7
47.4
45.6
41.8
50.3
W
203.7
203.3
208.7
208.3
211.4
212.8
210.5
214.2
206.5
211.9
Y
82.1
92.9
82.3
82.1
91.9
91.3
87.7
87.5
87.5
84.5
P
109.5
—
—
—
115.2
109.9
—
117.4
—
—
H
193.4
187.6
193.2
190.4
192.8
190.0
193.5
200.4
193.1
190.7
E
68.2
60.5
73.1
73.4
64.3
69.5
70.6
79.8
66.0
52.5
Q
36.6
42.4
46.7
47.4
37.6
56.2
37.2
40.9
38.7
66.9
D
71.1
67.8
74.8
71.7
85.1
76.4
72.0
84.5
73.2
73.0
N
41.8
35.2
46.8
42.1
52.2
46.3
39.0
84.4
45.8
43.7
K
74.6
80.5
76.8
76.2
74.0
79.3
79.4
71.5
71.9
62.4
R
208.6
206.8
207.9
204.4
208.9
209.7
209.1
209.5
208.1
236.9
Average energy is calculated by residues that are not in the nine ligand-prefer Ramachandran regions; outliers energy calculation ( KJ/mol) are excluded. 2Energy values that are 15 KJ/mol higher than the second column are denoted in bold.
“—” represents regions in which Pro does not occur.
