0AF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.44Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | C | sing | 1.51Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.22Å | |
C | OXT | sing | 1.34Å | 1.31Å | |
CB | CG | sing | 1.51Å | 1.50Å | |
CB | HBC1 | sing | 1.09Å | 1.10Å | |
CB | HBC2 | sing | 1.09Å | 1.10Å | |
CG | CD1 | doub | 1.34Å | 1.34Å | Aromatic |
CG | CD2 | sing | 1.46Å | 1.48Å | Aromatic |
CD1 | NE1 | sing | 1.37Å | 1.36Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | CE2 | doub | 1.40Å | 1.40Å | Aromatic |
CD2 | CE3 | sing | 1.40Å | 1.42Å | Aromatic |
NE1 | CE2 | sing | 1.38Å | 1.36Å | Aromatic |
NE1 | HE1 | sing | 0.97Å | 1.00Å | |
CE2 | CZ2 | sing | 1.40Å | 1.39Å | Aromatic |
CE3 | CZ3 | doub | 1.37Å | 1.37Å | Aromatic |
CE3 | HE3 | sing | 1.08Å | 1.08Å | |
CZ2 | O1 | sing | 1.36Å | 1.20Å | |
CZ2 | CH2 | doub | 1.38Å | 1.40Å | Aromatic |
O1 | H1 | sing | 0.97Å | 0.95Å | |
CZ3 | CH2 | sing | 1.39Å | 1.38Å | Aromatic |
CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
CH2 | HH2 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 110.9° |
N | CA | C | 103.1° | 109.5° |
N | CA | CB | 117.6° | 109.5° |
N | CA | HA | 110.5° | 109.4° |
H | N | H2 | 109.4° | 111.0° |
C | CA | CB | 114.7° | 109.5° |
C | CA | HA | 113.6° | 109.5° |
CA | C | O | 119.3° | 120.0° |
CA | C | OXT | 118.6° | 120.0° |
CB | CA | HA | 97.7° | 109.5° |
CA | CB | CG | 114.7° | 109.5° |
CA | CB | HBC1 | 107.8° | 109.5° |
CA | CB | HBC2 | 106.6° | 109.4° |
O | C | OXT | 121.7° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
CG | CB | HBC1 | 107.8° | 109.5° |
CG | CB | HBC2 | 106.6° | 109.5° |
CB | CG | CD1 | 123.6° | 126.5° |
CB | CG | CD2 | 130.0° | 126.4° |
HBC1 | CB | HBC2 | 113.6° | 109.5° |
CD1 | CG | CD2 | 106.4° | 107.0° |
CG | CD1 | NE1 | 109.7° | 109.9° |
CG | CD1 | HD1 | 125.2° | 125.0° |
CG | CD2 | CE2 | 105.6° | 106.0° |
CG | CD2 | CE3 | 137.3° | 134.0° |
NE1 | CD1 | HD1 | 125.1° | 125.1° |
CD1 | NE1 | CE2 | 110.9° | 109.8° |
CD1 | NE1 | HE1 | 124.6° | 125.1° |
CE2 | CD2 | CE3 | 117.1° | 119.9° |
CD2 | CE2 | NE1 | 107.3° | 107.2° |
CD2 | CE2 | CZ2 | 122.5° | 119.3° |
CD2 | CE3 | CZ3 | 120.2° | 119.9° |
CD2 | CE3 | HE3 | 119.9° | 120.0° |
CE2 | NE1 | HE1 | 124.5° | 125.1° |
NE1 | CE2 | CZ2 | 130.2° | 133.5° |
CE2 | CZ2 | O1 | 119.1° | 120.2° |
CE2 | CZ2 | CH2 | 118.8° | 119.6° |
CZ3 | CE3 | HE3 | 119.9° | 120.1° |
CE3 | CZ3 | CH2 | 122.4° | 120.6° |
CE3 | CZ3 | HZ3 | 118.8° | 119.7° |
O1 | CZ2 | CH2 | 122.1° | 120.2° |
CZ2 | O1 | H1 | 109.5° | 114.0° |
CZ2 | CH2 | CZ3 | 119.0° | 120.6° |
CZ2 | CH2 | HH2 | 120.5° | 119.6° |
CH2 | CZ3 | HZ3 | 118.8° | 119.7° |
CZ3 | CH2 | HH2 | 120.5° | 119.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | C | CB | 129.1° | 120.0° |
N | CA | C | HA | 119.7° | 120.0° |
N | CA | CB | HA | 118.0° | 120.0° |
N | CA | C | O | 20.8° | 20.0° |
N | CA | C | OXT | 152.0° | 160.0° |
N | CA | CB | CG | 51.5° | 65.0° |
N | CA | CB | HBC1 | 171.6° | 55.0° |
N | CA | CB | HBC2 | 66.1° | 175.0° |
H | N | CA | C | 10.9° | 63.9° |
H | N | CA | CB | 138.1° | 176.1° |
H | N | CA | HA | 110.9° | 56.0° |
H2 | N | CA | C | 109.1° | 60.0° |
H2 | N | CA | CB | 18.2° | 60.0° |
H2 | N | CA | HA | 129.1° | 180.0° |
C | CA | CB | HA | 120.5° | 120.0° |
CA | C | O | OXT | 172.6° | 180.0° |
C | CA | CB | CG | 69.9° | 175.0° |
C | CA | CB | HBC1 | 50.1° | 65.0° |
C | CA | CB | HBC2 | 172.4° | 55.0° |
CA | C | OXT | HXT | 172.7° | 180.0° |
CB | CA | C | O | 108.3° | 100.0° |
CB | CA | C | OXT | 78.9° | 80.0° |
CA | CB | CG | HBC1 | 120.0° | 120.1° |
CA | CB | CG | HBC2 | 117.7° | 119.9° |
CA | CB | HBC1 | HBC2 | 117.8° | 120.0° |
CA | CB | CG | CD1 | 87.2° | 94.9° |
CA | CB | CG | CD2 | 92.8° | 84.7° |
HA | CA | C | O | 140.4° | 140.0° |
HA | CA | C | OXT | 32.4° | 40.0° |
HA | CA | CB | CG | 169.6° | 55.0° |
HA | CA | CB | HBC1 | 70.4° | 175.0° |
HA | CA | CB | HBC2 | 51.9° | 65.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
CG | CB | HBC1 | HBC2 | 117.8° | 120.0° |
CB | CG | CD1 | CD2 | 179.9° | 179.7° |
CB | CG | CD1 | NE1 | 179.7° | 180.0° |
CB | CG | CD1 | HD1 | 0.3° | 0.1° |
CB | CG | CD2 | CE2 | 179.9° | 180.0° |
CB | CG | CD2 | CE3 | 2.7° | 0.1° |
HBC1 | CB | CG | CD1 | 32.8° | 145.0° |
HBC1 | CB | CG | CD2 | 147.1° | 35.4° |
HBC2 | CB | CG | CD1 | 155.1° | 25.0° |
HBC2 | CB | CG | CD2 | 24.8° | 155.3° |
CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
CD1 | CG | CD2 | CE2 | 0.1° | 0.3° |
CD1 | CG | CD2 | CE3 | 177.4° | 179.8° |
CG | CD1 | NE1 | CE2 | 0.6° | 0.2° |
CG | CD1 | NE1 | HE1 | 179.4° | 180.0° |
CD2 | CG | CD1 | NE1 | 0.3° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.7° | 179.8° |
CG | CD2 | CE2 | CE3 | 177.9° | 179.9° |
CG | CD2 | CE2 | NE1 | 0.5° | 0.2° |
CG | CD2 | CE2 | CZ2 | 179.5° | 180.0° |
CG | CD2 | CE3 | CZ3 | 178.8° | 179.9° |
CG | CD2 | CE3 | HE3 | 1.2° | 0.1° |
CD1 | NE1 | CE2 | CD2 | 0.7° | 0.0° |
CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
CD1 | NE1 | CE2 | CZ2 | 179.3° | 179.8° |
HD1 | CD1 | NE1 | CE2 | 179.4° | 179.9° |
HD1 | CD1 | NE1 | HE1 | 0.7° | 0.0° |
CD2 | CE2 | NE1 | CZ2 | 180.0° | 179.8° |
CD2 | CE2 | NE1 | HE1 | 179.3° | 179.8° |
CE2 | CD2 | CE3 | CZ3 | 4.1° | 0.0° |
CE2 | CD2 | CE3 | HE3 | 175.9° | 180.0° |
CD2 | CE2 | CZ2 | O1 | 179.8° | 179.9° |
CD2 | CE2 | CZ2 | CH2 | 0.6° | 0.0° |
CE3 | CD2 | CE2 | NE1 | 178.4° | 179.9° |
CE3 | CD2 | CE2 | CZ2 | 1.6° | 0.1° |
CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
CD2 | CE3 | CZ3 | CH2 | 4.6° | 0.1° |
CD2 | CE3 | CZ3 | HZ3 | 175.4° | 180.0° |
NE1 | CE2 | CZ2 | O1 | 0.2° | 0.2° |
NE1 | CE2 | CZ2 | CH2 | 179.3° | 179.8° |
HE1 | NE1 | CE2 | CZ2 | 0.7° | 0.1° |
CE2 | CZ2 | O1 | CH2 | 179.1° | 180.0° |
CE2 | CZ2 | O1 | H1 | 70.8° | 90.0° |
CE2 | CZ2 | CH2 | CZ3 | 0.4° | 0.1° |
CE2 | CZ2 | CH2 | HH2 | 179.5° | 180.0° |
CE3 | CZ3 | CH2 | CZ2 | 2.2° | 0.1° |
CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
CE3 | CZ3 | CH2 | HH2 | 177.8° | 179.9° |
HE3 | CE3 | CZ3 | CH2 | 175.5° | 179.9° |
HE3 | CE3 | CZ3 | HZ3 | 4.5° | 0.1° |
O1 | CZ2 | CH2 | CZ3 | 179.6° | 179.9° |
O1 | CZ2 | CH2 | HH2 | 0.4° | 0.0° |
CH2 | CZ2 | O1 | H1 | 110.1° | 90.0° |
CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
CZ2 | CH2 | CZ3 | HZ3 | 177.8° | 180.0° |
HZ3 | CZ3 | CH2 | HH2 | 2.2° | 0.1° |