PEL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1' | C2' | doub | 1.38Å | 1.43Å | Aromatic |
C1' | C6' | sing | 1.38Å | 1.41Å | Aromatic |
C1' | CA | sing | 1.51Å | 1.51Å | |
C2' | C3' | sing | 1.38Å | 1.42Å | Aromatic |
C2' | H2 | sing | 1.08Å | 1.10Å | |
C3' | C4' | doub | 1.38Å | 1.42Å | Aromatic |
C3' | H3 | sing | 1.08Å | 1.10Å | |
C4' | C5' | sing | 1.38Å | 1.41Å | Aromatic |
C4' | H4 | sing | 1.08Å | 1.10Å | |
C5' | C6' | doub | 1.38Å | 1.42Å | Aromatic |
C5' | H5 | sing | 1.08Å | 1.10Å | |
C6' | H6 | sing | 1.08Å | 1.10Å | |
CA | C | sing | 1.53Å | 1.53Å | |
CA | HA1 | sing | 1.09Å | 1.12Å | |
CA | HA2 | sing | 1.09Å | 1.11Å | |
C | OXT | sing | 1.43Å | 1.44Å | |
C | H11 | sing | 1.09Å | 1.12Å | |
C | H12 | sing | 1.09Å | 1.11Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2' | C1' | C6' | 119.5° | 120.0° |
C2' | C1' | CA | 120.1° | 120.0° |
C1' | C2' | C3' | 121.4° | 120.0° |
C1' | C2' | H2 | 119.6° | 120.0° |
C6' | C1' | CA | 120.0° | 120.0° |
C1' | C6' | C5' | 119.4° | 120.0° |
C1' | C6' | H6 | 120.2° | 120.0° |
C1' | CA | C | 110.5° | 109.5° |
C1' | CA | HA1 | 111.8° | 109.5° |
C1' | CA | HA2 | 111.8° | 109.5° |
C3' | C2' | H2 | 119.0° | 120.0° |
C2' | C3' | C4' | 118.0° | 120.0° |
C2' | C3' | H3 | 120.8° | 120.0° |
C4' | C3' | H3 | 121.2° | 120.0° |
C3' | C4' | C5' | 120.8° | 120.0° |
C3' | C4' | H4 | 120.1° | 120.0° |
C5' | C4' | H4 | 119.1° | 120.0° |
C4' | C5' | C6' | 120.5° | 120.0° |
C4' | C5' | H5 | 119.4° | 120.0° |
C6' | C5' | H5 | 120.1° | 120.0° |
C5' | C6' | H6 | 120.4° | 120.0° |
C | CA | HA1 | 111.8° | 109.5° |
C | CA | HA2 | 111.9° | 109.4° |
CA | C | OXT | 107.7° | 109.5° |
CA | C | H11 | 112.8° | 109.5° |
CA | C | H12 | 112.8° | 109.4° |
HA1 | CA | HA2 | 98.5° | 109.4° |
OXT | C | H11 | 112.9° | 109.5° |
OXT | C | H12 | 112.9° | 109.5° |
C | OXT | HXT | 107.7° | 106.7° |
H11 | C | H12 | 97.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2' | C1' | C6' | CA | 172.8° | 179.7° |
C1' | C2' | C3' | H2 | 180.0° | 180.0° |
C1' | C2' | C3' | C4' | 1.0° | 0.0° |
C1' | C2' | C3' | H3 | 179.0° | 180.0° |
C2' | C1' | C6' | C5' | 1.0° | 0.4° |
C2' | C1' | C6' | H6 | 179.0° | 180.0° |
C2' | C1' | CA | C | 126.4° | 90.0° |
C2' | C1' | CA | HA1 | 108.3° | 30.0° |
C2' | C1' | CA | HA2 | 1.1° | 150.0° |
C6' | C1' | C2' | C3' | 1.3° | 0.2° |
C6' | C1' | C2' | H2 | 178.6° | 179.8° |
C1' | C6' | C5' | C4' | 5.7° | 0.3° |
C1' | C6' | C5' | H6 | 180.0° | 179.7° |
C1' | C6' | C5' | H5 | 174.3° | 179.7° |
C6' | C1' | CA | C | 46.4° | 90.2° |
C6' | C1' | CA | HA1 | 78.9° | 149.7° |
C6' | C1' | CA | HA2 | 171.7° | 29.7° |
CA | C1' | C2' | C3' | 171.5° | 180.0° |
CA | C1' | C2' | H2 | 8.6° | 0.0° |
CA | C1' | C6' | C5' | 173.8° | 179.9° |
CA | C1' | C6' | H6 | 6.2° | 0.2° |
C1' | CA | C | HA1 | 125.3° | 120.1° |
C1' | CA | C | HA2 | 125.3° | 120.0° |
C1' | CA | HA1 | HA2 | 117.7° | 120.0° |
C1' | CA | C | OXT | 122.2° | 180.0° |
C1' | CA | C | H11 | 3.0° | 59.9° |
C1' | CA | C | H12 | 112.5° | 60.0° |
C2' | C3' | C4' | H3 | 180.0° | 180.0° |
C2' | C3' | C4' | C5' | 5.7° | 0.0° |
C2' | C3' | C4' | H4 | 174.4° | 179.9° |
H2 | C2' | C3' | C4' | 179.1° | 180.0° |
H2 | C2' | C3' | H3 | 1.0° | 0.0° |
C3' | C4' | C5' | H4 | 180.0° | 179.9° |
C3' | C4' | C5' | C6' | 8.1° | 0.1° |
C3' | C4' | C5' | H5 | 171.9° | 179.9° |
H3 | C3' | C4' | C5' | 174.3° | 180.0° |
H3 | C3' | C4' | H4 | 5.6° | 0.1° |
C4' | C5' | C6' | H5 | 180.0° | 180.0° |
C4' | C5' | C6' | H6 | 174.4° | 180.0° |
H4 | C4' | C5' | C6' | 171.9° | 179.9° |
H4 | C4' | C5' | H5 | 8.1° | 0.0° |
H5 | C5' | C6' | H6 | 5.7° | 0.1° |
C | CA | HA1 | HA2 | 117.7° | 119.9° |
CA | C | OXT | H11 | 125.2° | 120.1° |
CA | C | OXT | H12 | 125.2° | 119.9° |
CA | C | H11 | H12 | 118.8° | 119.9° |
CA | C | OXT | HXT | 180.0° | 180.0° |
HA1 | CA | C | OXT | 112.5° | 59.9° |
HA1 | CA | C | H11 | 122.2° | 180.0° |
HA1 | CA | C | H12 | 12.8° | 60.1° |
HA2 | CA | C | OXT | 3.1° | 60.0° |
HA2 | CA | C | H11 | 128.3° | 60.1° |
HA2 | CA | C | H12 | 122.2° | 180.0° |
OXT | C | H11 | H12 | 118.8° | 120.0° |
H11 | C | OXT | HXT | 54.8° | 59.9° |
H12 | C | OXT | HXT | 54.8° | 60.0° |