Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.26Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | OA | sing | 1.43Å | 1.48Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
CB | CG | sing | 1.51Å | 1.51Å | |
CB | H1B | sing | 1.09Å | 1.11Å | |
CB | H2B | sing | 1.09Å | 1.11Å | |
CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.10Å | |
CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.10Å | |
CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.10Å | |
CZ | HZ | sing | 1.08Å | 1.10Å | |
C | OXT | sing | 1.34Å | 1.27Å | |
OA | HOA | sing | 0.97Å | 0.95Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 121.1° | 120.1° |
O | C | OXT | 118.5° | 119.9° |
CB | CA | C | 110.1° | 109.5° |
CB | CA | OA | 112.9° | 109.5° |
CB | CA | HA | 106.8° | 109.5° |
CA | CB | CG | 113.1° | 109.5° |
CA | CB | H1B | 110.9° | 109.5° |
CA | CB | H2B | 110.9° | 109.5° |
C | CA | OA | 109.9° | 109.4° |
C | CA | HA | 110.1° | 109.5° |
CA | C | OXT | 119.9° | 120.0° |
OA | CA | HA | 107.0° | 109.4° |
CA | OA | HOA | 113.0° | 106.8° |
CG | CB | H1B | 110.8° | 109.4° |
CG | CB | H2B | 110.8° | 109.5° |
CB | CG | CD1 | 119.6° | 120.1° |
CB | CG | CD2 | 122.0° | 120.0° |
H1B | CB | H2B | 99.5° | 109.4° |
CD1 | CG | CD2 | 118.4° | 120.0° |
CG | CD1 | CE1 | 121.6° | 120.0° |
CG | CD1 | HD1 | 119.2° | 120.0° |
CG | CD2 | CE2 | 120.7° | 120.0° |
CG | CD2 | HD2 | 119.9° | 120.1° |
CE1 | CD1 | HD1 | 119.2° | 120.0° |
CD1 | CE1 | CZ | 119.6° | 120.0° |
CD1 | CE1 | HE1 | 120.1° | 120.0° |
CE2 | CD2 | HD2 | 119.4° | 119.9° |
CD2 | CE2 | CZ | 120.4° | 120.0° |
CD2 | CE2 | HE2 | 119.5° | 120.0° |
CZ | CE1 | HE1 | 120.2° | 120.1° |
CE1 | CZ | CE2 | 119.3° | 120.0° |
CE1 | CZ | HZ | 120.2° | 119.9° |
CZ | CE2 | HE2 | 120.0° | 120.0° |
CE2 | CZ | HZ | 120.5° | 120.0° |
C | OXT | HXT | 118.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | CB | 55.6° | 120.0° |
O | C | CA | OXT | 171.9° | 179.9° |
O | C | CA | OA | 179.4° | 0.1° |
O | C | CA | HA | 61.8° | 119.9° |
O | C | OXT | HXT | 179.9° | 0.1° |
CB | CA | C | OA | 125.0° | 120.0° |
CB | CA | C | HA | 117.4° | 120.1° |
CB | CA | OA | HA | 117.2° | 120.0° |
CA | CB | CG | H1B | 125.3° | 120.0° |
CA | CB | CG | H2B | 125.3° | 120.0° |
CA | CB | H1B | H2B | 116.8° | 120.0° |
CA | CB | CG | CD1 | 119.1° | 90.0° |
CA | CB | CG | CD2 | 62.8° | 90.3° |
CB | CA | C | OXT | 132.4° | 60.1° |
CB | CA | OA | HOA | 179.9° | 60.0° |
C | CA | OA | HA | 119.5° | 120.0° |
C | CA | CB | CG | 69.3° | 179.9° |
C | CA | CB | H1B | 55.9° | 59.9° |
C | CA | CB | H2B | 165.4° | 60.1° |
C | CA | OA | HOA | 56.6° | 59.9° |
CA | C | OXT | HXT | 7.9° | 180.0° |
OA | CA | CB | CG | 53.9° | 60.0° |
OA | CA | CB | H1B | 179.1° | 60.0° |
OA | CA | CB | H2B | 71.4° | 180.0° |
OA | CA | C | OXT | 7.4° | 179.9° |
HA | CA | CB | CG | 171.2° | 60.0° |
HA | CA | CB | H1B | 63.6° | 180.0° |
HA | CA | CB | H2B | 46.0° | 60.0° |
HA | CA | C | OXT | 110.1° | 60.0° |
HA | CA | OA | HOA | 62.9° | 179.9° |
CG | CB | H1B | H2B | 116.7° | 120.0° |
CB | CG | CD1 | CD2 | 178.2° | 179.7° |
CB | CG | CD1 | CE1 | 177.3° | 180.0° |
CB | CG | CD1 | HD1 | 2.7° | 0.0° |
CB | CG | CD2 | CE2 | 177.6° | 179.8° |
CB | CG | CD2 | HD2 | 2.4° | 0.2° |
H1B | CB | CG | CD1 | 115.7° | 30.0° |
H1B | CB | CG | CD2 | 62.5° | 149.7° |
H2B | CB | CG | CD1 | 6.2° | 150.0° |
H2B | CB | CG | CD2 | 172.0° | 29.7° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.6° | 0.5° |
CD1 | CG | CD2 | HD2 | 179.4° | 180.0° |
CG | CD1 | CE1 | CZ | 0.7° | 0.0° |
CG | CD1 | CE1 | HE1 | 179.3° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.9° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.1° | 179.7° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.6° |
CG | CD2 | CE2 | CZ | 0.1° | 0.4° |
CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
CD1 | CE1 | CZ | CE2 | 0.2° | 0.0° |
CD1 | CE1 | CZ | HZ | 179.8° | 179.9° |
HD1 | CD1 | CE1 | CZ | 179.2° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 0.8° | 0.1° |
CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
CD2 | CE2 | CZ | HZ | 179.9° | 179.9° |
HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
HD2 | CD2 | CE2 | HE2 | 0.1° | 0.1° |
CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
CE1 | CZ | CE2 | HE2 | 179.9° | 179.9° |
HE1 | CE1 | CZ | CE2 | 179.8° | 180.0° |
HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
HE2 | CE2 | CZ | HZ | 0.1° | 0.0° |