Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.48Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.55Å | |
CA | CB | sing | 1.53Å | 1.49Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
CB | CG | sing | 1.51Å | 1.49Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.35Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.10Å | |
CD2 | CE2 | doub | 1.39Å | 1.40Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.10Å | |
CE1 | CZ | doub | 1.38Å | 1.37Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
CE2 | CZ | sing | 1.39Å | 1.34Å | Aromatic |
CE2 | OH | sing | 1.36Å | 1.33Å | |
CZ | HZ | sing | 1.08Å | 1.10Å | |
OH | HOH | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | HN1 | 112.1° | 106.8° |
CA | N | HN2 | 111.3° | 106.7° |
N | CA | C | 112.1° | 109.5° |
N | CA | CB | 113.3° | 109.4° |
N | CA | HA | 104.3° | 109.4° |
HN1 | N | HN2 | 111.2° | 106.6° |
C | CA | CB | 107.2° | 109.5° |
C | CA | HA | 110.7° | 109.5° |
CA | C | O | 120.2° | 120.0° |
CA | C | OXT | 117.5° | 120.0° |
CB | CA | HA | 109.4° | 109.5° |
CA | CB | CG | 116.5° | 109.5° |
CA | CB | HB1 | 109.7° | 109.5° |
CA | CB | HB2 | 109.7° | 109.4° |
O | C | OXT | 122.2° | 120.0° |
C | OXT | HXT | 117.5° | 120.0° |
CG | CB | HB1 | 109.6° | 109.5° |
CG | CB | HB2 | 109.6° | 109.5° |
CB | CG | CD1 | 117.4° | 119.9° |
CB | CG | CD2 | 121.5° | 120.0° |
HB1 | CB | HB2 | 100.5° | 109.4° |
CD1 | CG | CD2 | 120.6° | 120.0° |
CG | CD1 | CE1 | 119.3° | 120.1° |
CG | CD1 | HD1 | 120.4° | 119.9° |
CG | CD2 | CE2 | 119.4° | 120.0° |
CG | CD2 | HD2 | 118.6° | 120.0° |
CE1 | CD1 | HD1 | 120.4° | 120.0° |
CD1 | CE1 | CZ | 119.1° | 120.1° |
CD1 | CE1 | HE1 | 120.9° | 120.0° |
CE2 | CD2 | HD2 | 122.1° | 120.1° |
CD2 | CE2 | CZ | 119.7° | 119.9° |
CD2 | CE2 | OH | 122.5° | 120.1° |
CZ | CE1 | HE1 | 120.0° | 120.0° |
CE1 | CZ | CE2 | 121.5° | 119.9° |
CE1 | CZ | HZ | 120.4° | 120.0° |
CZ | CE2 | OH | 117.8° | 120.0° |
CE2 | CZ | HZ | 118.1° | 120.0° |
CE2 | OH | HOH | 122.5° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | HN1 | HN2 | 125.2° | 113.7° |
N | CA | C | CB | 124.9° | 120.0° |
N | CA | C | HA | 115.9° | 120.0° |
N | CA | CB | HA | 115.8° | 119.9° |
N | CA | C | O | 146.6° | 30.0° |
N | CA | C | OXT | 37.8° | 150.0° |
N | CA | CB | CG | 91.9° | 60.0° |
N | CA | CB | HB1 | 33.4° | 60.1° |
N | CA | CB | HB2 | 142.9° | 180.0° |
HN1 | N | CA | C | 180.0° | 173.7° |
HN1 | N | CA | CB | 58.5° | 53.7° |
HN1 | N | CA | HA | 60.3° | 66.3° |
HN2 | N | CA | C | 54.8° | 60.0° |
HN2 | N | CA | CB | 66.6° | 60.1° |
HN2 | N | CA | HA | 174.6° | 180.0° |
C | CA | CB | HA | 120.1° | 120.1° |
CA | C | O | OXT | 175.4° | 180.0° |
CA | C | OXT | HXT | 180.0° | 179.9° |
C | CA | CB | CG | 144.0° | 180.0° |
C | CA | CB | HB1 | 90.7° | 59.9° |
C | CA | CB | HB2 | 18.7° | 60.0° |
CB | CA | C | O | 88.6° | 90.0° |
CB | CA | C | OXT | 87.0° | 90.0° |
CA | CB | CG | HB1 | 125.3° | 120.1° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 115.5° | 119.9° |
CA | CB | CG | CD1 | 44.5° | 90.0° |
CA | CB | CG | CD2 | 143.1° | 90.3° |
HA | CA | C | O | 30.7° | 149.9° |
HA | CA | C | OXT | 153.7° | 30.0° |
HA | CA | CB | CG | 23.9° | 59.9° |
HA | CA | CB | HB1 | 149.2° | 180.0° |
HA | CA | CB | HB2 | 101.4° | 60.1° |
O | C | OXT | HXT | 4.5° | 0.0° |
CG | CB | HB1 | HB2 | 115.4° | 120.0° |
CB | CG | CD1 | CD2 | 172.5° | 179.7° |
CB | CG | CD1 | CE1 | 179.9° | 180.0° |
CB | CG | CD1 | HD1 | 0.1° | 0.1° |
CB | CG | CD2 | CE2 | 179.2° | 179.8° |
CB | CG | CD2 | HD2 | 0.9° | 0.3° |
HB1 | CB | CG | CD1 | 169.8° | 30.0° |
HB1 | CB | CG | CD2 | 17.8° | 149.7° |
HB2 | CB | CG | CD1 | 80.8° | 150.0° |
HB2 | CB | CG | CD2 | 91.6° | 29.7° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 7.0° | 0.5° |
CD1 | CG | CD2 | HD2 | 173.0° | 180.0° |
CG | CD1 | CE1 | CZ | 5.0° | 0.0° |
CG | CD1 | CE1 | HE1 | 175.0° | 180.0° |
CD2 | CG | CD1 | CE1 | 7.6° | 0.3° |
CD2 | CG | CD1 | HD1 | 172.4° | 179.8° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.5° |
CG | CD2 | CE2 | CZ | 3.8° | 0.5° |
CG | CD2 | CE2 | OH | 177.2° | 179.8° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | CE2 | 1.9° | 0.0° |
CD1 | CE1 | CZ | HZ | 178.1° | 180.0° |
HD1 | CD1 | CE1 | CZ | 175.1° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 4.9° | 0.0° |
CD2 | CE2 | CZ | CE1 | 1.3° | 0.2° |
CD2 | CE2 | CZ | OH | 179.1° | 179.7° |
CD2 | CE2 | CZ | HZ | 178.7° | 179.8° |
CD2 | CE2 | OH | HOH | 179.9° | 89.7° |
HD2 | CD2 | CE2 | CZ | 176.2° | 180.0° |
HD2 | CD2 | CE2 | OH | 2.8° | 0.2° |
CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
CE1 | CZ | CE2 | OH | 179.7° | 180.0° |
HE1 | CE1 | CZ | CE2 | 178.1° | 180.0° |
HE1 | CE1 | CZ | HZ | 1.9° | 0.0° |
CZ | CE2 | OH | HOH | 1.0° | 90.0° |
OH | CE2 | CZ | HZ | 0.3° | 0.1° |