Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.49Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
C | O | doub | 1.21Å | 1.26Å | |
C | OXT | sing | 1.34Å | 1.27Å | |
CB | CG | sing | 1.51Å | 1.50Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CG | CD1 | doub | 1.34Å | 1.37Å | Aromatic |
CG | CD2 | sing | 1.46Å | 1.43Å | Aromatic |
CD1 | NE1 | sing | 1.37Å | 1.39Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.10Å | |
CD2 | CE2 | doub | 1.41Å | 1.42Å | Aromatic |
CD2 | CE3 | sing | 1.40Å | 1.39Å | Aromatic |
NE1 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
NE1 | HE1 | sing | 0.97Å | 1.02Å | |
CE2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
CE3 | CZ3 | doub | 1.37Å | 1.39Å | Aromatic |
CE3 | HE3 | sing | 1.08Å | 1.10Å | |
CZ2 | CH2 | doub | 1.38Å | 1.38Å | Aromatic |
CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
CZ3 | CH2 | sing | 1.39Å | 1.42Å | Aromatic |
CZ3 | HZ3 | sing | 1.08Å | 1.10Å | |
CH2 | HH2 | 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 | 109.1° | 106.7° |
CA | N | HN2 | 112.3° | 106.7° |
N | CA | C | 109.1° | 109.4° |
N | CA | CB | 107.9° | 109.5° |
N | CA | HA | 112.0° | 109.5° |
H | N | HN2 | 112.4° | 106.7° |
C | CA | CB | 113.0° | 109.5° |
C | CA | HA | 106.8° | 109.4° |
CA | C | O | 121.8° | 120.0° |
CA | C | OXT | 116.5° | 120.0° |
CB | CA | HA | 108.0° | 109.5° |
CA | CB | CG | 114.8° | 109.4° |
CA | CB | HB1 | 110.3° | 109.5° |
CA | CB | HB2 | 110.2° | 109.5° |
O | C | OXT | 121.6° | 120.0° |
C | OXT | HXT | 116.5° | 120.0° |
CG | CB | HB1 | 110.3° | 109.5° |
CG | CB | HB2 | 110.3° | 109.5° |
CB | CG | CD1 | 124.9° | 126.5° |
CB | CG | CD2 | 127.7° | 126.5° |
HB1 | CB | HB2 | 100.0° | 109.5° |
CD1 | CG | CD2 | 107.4° | 107.0° |
CG | CD1 | NE1 | 109.2° | 109.9° |
CG | CD1 | HD1 | 124.8° | 125.1° |
CG | CD2 | CE2 | 106.8° | 106.1° |
CG | CD2 | CE3 | 134.0° | 134.0° |
NE1 | CD1 | HD1 | 126.0° | 125.0° |
CD1 | NE1 | CE2 | 109.0° | 109.9° |
CD1 | NE1 | HE1 | 125.9° | 125.1° |
CE2 | CD2 | CE3 | 119.2° | 119.9° |
CD2 | CE2 | NE1 | 107.7° | 107.1° |
CD2 | CE2 | CZ2 | 121.9° | 119.3° |
CD2 | CE3 | CZ3 | 119.7° | 119.8° |
CD2 | CE3 | HE3 | 120.4° | 120.1° |
CE2 | NE1 | HE1 | 125.1° | 125.1° |
NE1 | CE2 | CZ2 | 130.4° | 133.5° |
CE2 | CZ2 | CH2 | 117.6° | 119.8° |
CE2 | CZ2 | HZ2 | 121.8° | 120.1° |
CZ3 | CE3 | HE3 | 119.9° | 120.1° |
CE3 | CZ3 | CH2 | 120.0° | 120.5° |
CE3 | CZ3 | HZ3 | 118.6° | 119.8° |
CH2 | CZ2 | HZ2 | 120.6° | 120.1° |
CZ2 | CH2 | CZ3 | 121.6° | 120.6° |
CZ2 | CH2 | HH2 | 117.6° | 119.6° |
CH2 | CZ3 | HZ3 | 121.4° | 119.7° |
CZ3 | CH2 | HH2 | 120.8° | 119.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | HN2 | 125.3° | 113.8° |
N | CA | C | CB | 120.1° | 120.0° |
N | CA | C | HA | 121.3° | 120.0° |
N | CA | CB | HA | 121.3° | 120.0° |
N | CA | C | O | 41.4° | 30.0° |
N | CA | C | OXT | 142.4° | 150.0° |
N | CA | CB | CG | 173.7° | 60.0° |
N | CA | CB | HB1 | 48.4° | 60.0° |
N | CA | CB | HB2 | 61.1° | 180.0° |
H | N | CA | C | 180.0° | 173.8° |
H | N | CA | CB | 56.8° | 53.8° |
H | N | CA | HA | 62.0° | 66.2° |
HN2 | N | CA | C | 54.7° | 60.0° |
HN2 | N | CA | CB | 68.5° | 60.0° |
HN2 | N | CA | HA | 172.7° | 180.0° |
C | CA | CB | HA | 117.9° | 120.0° |
CA | C | O | OXT | 175.9° | 180.0° |
C | CA | CB | CG | 65.5° | 180.0° |
C | CA | CB | HB1 | 169.2° | 60.0° |
C | CA | CB | HB2 | 59.7° | 60.0° |
CA | C | OXT | HXT | 180.0° | 179.9° |
CB | CA | C | O | 78.6° | 90.0° |
CB | CA | C | OXT | 97.5° | 89.9° |
CA | CB | CG | HB1 | 125.3° | 120.0° |
CA | CB | CG | HB2 | 125.2° | 120.0° |
CA | CB | HB1 | HB2 | 116.1° | 120.1° |
CA | CB | CG | CD1 | 95.0° | 90.0° |
CA | CB | CG | CD2 | 83.2° | 90.3° |
HA | CA | C | O | 162.7° | 150.0° |
HA | CA | C | OXT | 21.2° | 30.1° |
HA | CA | CB | CG | 52.4° | 60.0° |
HA | CA | CB | HB1 | 72.9° | NaN° |
HA | CA | CB | HB2 | 177.6° | 60.0° |
O | C | OXT | HXT | 3.9° | 0.1° |
CG | CB | HB1 | HB2 | 116.1° | 120.0° |
CB | CG | CD1 | CD2 | 178.5° | 179.7° |
CB | CG | CD1 | NE1 | 178.5° | 179.9° |
CB | CG | CD1 | HD1 | 1.5° | 0.1° |
CB | CG | CD2 | CE2 | 178.6° | 180.0° |
CB | CG | CD2 | CE3 | 0.3° | 0.8° |
HB1 | CB | CG | CD1 | 139.7° | 29.9° |
HB1 | CB | CG | CD2 | 42.1° | 149.7° |
HB2 | CB | CG | CD1 | 30.2° | 149.9° |
HB2 | CB | CG | CD2 | 151.6° | 29.7° |
CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.2° | 0.4° |
CD1 | CG | CD2 | CE3 | 178.1° | 179.5° |
CG | CD1 | NE1 | CE2 | 0.2° | 0.1° |
CG | CD1 | NE1 | HE1 | 179.7° | 180.0° |
CD2 | CG | CD1 | NE1 | 0.0° | 0.3° |
CD2 | CG | CD1 | HD1 | 180.0° | 179.7° |
CG | CD2 | CE2 | CE3 | 178.6° | 179.3° |
CG | CD2 | CE2 | NE1 | 0.3° | 0.3° |
CG | CD2 | CE2 | CZ2 | 179.1° | 179.8° |
CG | CD2 | CE3 | CZ3 | 179.6° | 179.6° |
CG | CD2 | CE3 | HE3 | 0.4° | 0.7° |
CD1 | NE1 | CE2 | CD2 | 0.4° | 0.2° |
CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
CD1 | NE1 | CE2 | CZ2 | 179.0° | 180.0° |
HD1 | CD1 | NE1 | CE2 | 179.8° | 179.9° |
HD1 | CD1 | NE1 | HE1 | 0.3° | 0.0° |
CD2 | CE2 | NE1 | CZ2 | 179.4° | 179.8° |
CD2 | CE2 | NE1 | HE1 | 179.6° | 179.7° |
CE2 | CD2 | CE3 | CZ3 | 2.3° | 0.6° |
CE2 | CD2 | CE3 | HE3 | 177.7° | 179.8° |
CD2 | CE2 | CZ2 | CH2 | 1.2° | 0.2° |
CD2 | CE2 | CZ2 | HZ2 | 178.8° | 179.9° |
CE3 | CD2 | CE2 | NE1 | 178.3° | 179.6° |
CE3 | CD2 | CE2 | CZ2 | 2.3° | 0.5° |
CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.7° |
CD2 | CE3 | CZ3 | CH2 | 1.3° | 0.3° |
CD2 | CE3 | CZ3 | HZ3 | 178.7° | 179.7° |
NE1 | CE2 | CZ2 | CH2 | 179.5° | 180.0° |
NE1 | CE2 | CZ2 | HZ2 | 0.5° | 0.0° |
HE1 | NE1 | CE2 | CZ2 | 1.0° | 0.1° |
CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
CE2 | CZ2 | CH2 | CZ3 | 0.2° | 0.0° |
CE2 | CZ2 | CH2 | HH2 | 179.8° | 180.0° |
CE3 | CZ3 | CH2 | CZ2 | 0.3° | 0.0° |
CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
CE3 | CZ3 | CH2 | HH2 | 179.7° | 179.9° |
HE3 | CE3 | CZ3 | CH2 | 178.6° | 180.0° |
HE3 | CE3 | CZ3 | HZ3 | 1.3° | 0.0° |
CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
CZ2 | CH2 | CZ3 | HZ3 | 179.7° | 180.0° |
HZ2 | CZ2 | CH2 | CZ3 | 179.8° | 179.9° |
HZ2 | CZ2 | CH2 | HH2 | 0.2° | 0.0° |
HZ3 | CZ3 | CH2 | HH2 | 0.3° | 0.1° |