PHE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.25Å | |
CB | CG | sing | 1.51Å | 1.51Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CB | HB3 | sing | 1.09Å | 1.12Å | |
CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.39Å | 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 | 1.39Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.10Å | |
CZ | HZ | sing | 1.08Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 110.8° | 106.6° |
CA | N | H2 | 111.7° | 106.7° |
N | CA | C | 110.8° | 109.5° |
N | CA | CB | 110.1° | 109.5° |
N | CA | HA | 108.5° | 109.4° |
H | N | H2 | 111.7° | 106.7° |
C | CA | CB | 110.3° | 109.5° |
C | CA | HA | 108.3° | 109.4° |
CA | C | O | 118.4° | 120.0° |
CA | C | OXT | 117.8° | 120.0° |
CB | CA | HA | 108.9° | 109.4° |
CA | CB | CG | 114.0° | 109.5° |
CA | CB | HB2 | 110.6° | 109.4° |
CA | CB | HB3 | 110.6° | 109.5° |
O | C | OXT | 123.8° | 120.0° |
C | OXT | HXT | 117.7° | 120.0° |
CG | CB | HB2 | 110.5° | 109.5° |
CG | CB | HB3 | 110.5° | 109.5° |
CB | CG | CD1 | 120.8° | 120.1° |
CB | CG | CD2 | 120.5° | 120.0° |
HB2 | CB | HB3 | 99.7° | 109.4° |
CD1 | CG | CD2 | 118.7° | 119.9° |
CG | CD1 | CE1 | 120.9° | 120.0° |
CG | CD1 | HD1 | 119.6° | 120.0° |
CG | CD2 | CE2 | 121.0° | 120.0° |
CG | CD2 | HD2 | 119.6° | 120.0° |
CE1 | CD1 | HD1 | 119.5° | 120.0° |
CD1 | CE1 | CZ | 119.6° | 120.0° |
CD1 | CE1 | HE1 | 120.4° | 120.0° |
CE2 | CD2 | HD2 | 119.4° | 120.1° |
CD2 | CE2 | CZ | 119.9° | 120.0° |
CD2 | CE2 | HE2 | 119.9° | 119.9° |
CZ | CE1 | HE1 | 120.1° | 120.0° |
CE1 | CZ | CE2 | 120.0° | 120.0° |
CE1 | CZ | HZ | 120.0° | 120.1° |
CZ | CE2 | HE2 | 120.2° | 120.0° |
CE2 | CZ | HZ | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 125.2° | 113.8° |
N | CA | C | CB | 122.2° | 120.1° |
N | CA | C | HA | 118.8° | 120.0° |
N | CA | CB | HA | 118.8° | 119.9° |
N | CA | C | O | 104.8° | 30.1° |
N | CA | C | OXT | 74.3° | 150.0° |
N | CA | CB | CG | 173.3° | 59.9° |
N | CA | CB | HB2 | 48.0° | 60.1° |
N | CA | CB | HB3 | 61.4° | 180.0° |
H | N | CA | C | 180.0° | 60.0° |
H | N | CA | CB | 57.7° | 60.1° |
H | N | CA | HA | 61.3° | 180.0° |
H2 | N | CA | C | 54.8° | 173.8° |
H2 | N | CA | CB | 67.5° | 53.7° |
H2 | N | CA | HA | 173.5° | 66.2° |
C | CA | CB | HA | 118.7° | 120.0° |
CA | C | O | OXT | 179.1° | 179.9° |
C | CA | CB | CG | 64.2° | 180.0° |
C | CA | CB | HB2 | 170.6° | 59.9° |
C | CA | CB | HB3 | 61.1° | 59.9° |
CA | C | OXT | HXT | 180.0° | 180.0° |
CB | CA | C | O | 17.4° | 90.0° |
CB | CA | C | OXT | 163.5° | 89.9° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | CG | HB3 | 125.3° | 120.1° |
CA | CB | HB2 | HB3 | 116.4° | 120.0° |
CA | CB | CG | CD1 | 50.0° | 90.0° |
CA | CB | CG | CD2 | 131.4° | 90.3° |
HA | CA | C | O | 136.4° | 150.0° |
HA | CA | C | OXT | 44.5° | 30.1° |
HA | CA | CB | CG | 54.5° | 60.0° |
HA | CA | CB | HB2 | 70.8° | 179.9° |
HA | CA | CB | HB3 | 179.8° | 60.1° |
O | C | OXT | HXT | 0.9° | 0.1° |
CG | CB | HB2 | HB3 | 116.3° | 120.0° |
CB | CG | CD1 | CD2 | 178.6° | 179.8° |
CB | CG | CD1 | CE1 | 178.6° | 180.0° |
CB | CG | CD1 | HD1 | 1.4° | 0.0° |
CB | CG | CD2 | CE2 | 178.5° | 179.8° |
CB | CG | CD2 | HD2 | 1.5° | 0.2° |
HB2 | CB | CG | CD1 | 75.3° | 30.0° |
HB2 | CB | CG | CD2 | 103.3° | 149.7° |
HB3 | CB | CG | CD1 | 175.4° | 150.0° |
HB3 | CB | CG | CD2 | 6.1° | 29.8° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.1° | 0.4° |
CD1 | CG | CD2 | HD2 | 179.9° | 179.9° |
CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
CD2 | CG | CD1 | CE1 | 0.0° | 0.2° |
CD2 | CG | CD1 | HD1 | 180.0° | 179.7° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.7° |
CG | CD2 | CE2 | CZ | 0.1° | 0.4° |
CG | CD2 | CE2 | HE2 | 179.8° | 179.7° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
CD1 | CE1 | CZ | HZ | 179.9° | 179.9° |
HD1 | CD1 | CE1 | CZ | 179.9° | 179.9° |
HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
CD2 | CE2 | CZ | HE2 | 179.9° | 179.9° |
CD2 | CE2 | CZ | HZ | 180.0° | 179.9° |
HD2 | CD2 | CE2 | CZ | 179.9° | 179.9° |
HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
CE1 | CZ | CE2 | HE2 | 179.9° | 179.9° |
HE1 | CE1 | CZ | CE2 | 180.0° | 180.0° |
HE1 | CE1 | CZ | HZ | 0.0° | 0.1° |
HE2 | CE2 | CZ | HZ | 0.1° | 0.0° |