4AZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OXT | C | doub | 1.22Å | 1.27Å | |
C | C1 | sing | 1.48Å | 1.33Å | |
C | O | sing | 1.35Å | 1.19Å | |
O | HO | sing | 0.97Å | 0.95Å | |
C6 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
C1 | C2 | sing | 1.40Å | 1.44Å | Aromatic |
N1 | C7 | sing | 1.47Å | 1.48Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
N1 | HN1A | sing | 1.01Å | 1.00Å | |
C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
C4 | C7 | sing | 1.51Å | 1.51Å | |
C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OXT | C | C1 | 132.6° | 120.0° |
OXT | C | O | 101.9° | 120.0° |
C1 | C | O | 125.5° | 120.0° |
C | C1 | C6 | 122.5° | 120.1° |
C | C1 | C2 | 118.7° | 120.2° |
C | O | HO | 109.5° | 117.0° |
C6 | C1 | C2 | 118.8° | 119.7° |
C1 | C6 | C5 | 120.4° | 119.9° |
C1 | C6 | H6 | 119.8° | 120.0° |
C1 | C2 | C3 | 120.3° | 119.8° |
C1 | C2 | H2 | 119.8° | 120.1° |
C7 | N1 | HN1 | 109.5° | 111.0° |
C7 | N1 | HN1A | 109.5° | 110.9° |
N1 | C7 | C4 | 110.6° | 109.4° |
N1 | C7 | H7 | 109.1° | 109.5° |
N1 | C7 | H7A | 109.1° | 109.4° |
HN1 | N1 | HN1A | 109.5° | 111.0° |
C3 | C2 | H2 | 119.9° | 120.1° |
C2 | C3 | C4 | 120.0° | 120.2° |
C2 | C3 | H3 | 120.0° | 119.9° |
C4 | C3 | H3 | 120.0° | 119.9° |
C3 | C4 | C5 | 120.0° | 120.3° |
C3 | C4 | C7 | 120.0° | 119.8° |
C5 | C4 | C7 | 120.1° | 119.9° |
C4 | C5 | C6 | 120.6° | 120.1° |
C4 | C5 | H5 | 119.7° | 119.9° |
C4 | C7 | H7 | 109.1° | 109.5° |
C4 | C7 | H7A | 109.1° | 109.4° |
C6 | C5 | H5 | 119.7° | 120.0° |
C5 | C6 | H6 | 119.8° | 120.0° |
H7 | C7 | H7A | 109.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OXT | C | C1 | O | 178.4° | 179.8° |
OXT | C | O | HO | 0.0° | 0.2° |
OXT | C | C1 | C6 | 1.2° | 180.0° |
OXT | C | C1 | C2 | 179.0° | 0.2° |
C1 | C | O | HO | 178.8° | 180.0° |
C | C1 | C6 | C2 | 179.8° | 179.8° |
C | C1 | C2 | C3 | 180.0° | 180.0° |
C | C1 | C2 | H2 | 0.0° | 0.0° |
C | C1 | C6 | C5 | 180.0° | 179.7° |
C | C1 | C6 | H6 | 0.0° | 0.1° |
O | C | C1 | C6 | 179.6° | 0.2° |
O | C | C1 | C2 | 0.5° | 180.0° |
C6 | C1 | C2 | C3 | 0.1° | 0.2° |
C6 | C1 | C2 | H2 | 179.9° | 179.8° |
C1 | C6 | C5 | C4 | 0.1° | 0.5° |
C1 | C6 | C5 | H6 | 180.0° | 179.7° |
C1 | C6 | C5 | H5 | 179.9° | 179.8° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.1° | 0.1° |
C1 | C2 | C3 | H3 | 179.9° | 180.0° |
C2 | C1 | C6 | C5 | 0.2° | 0.5° |
C2 | C1 | C6 | H6 | 179.8° | 179.7° |
C7 | N1 | HN1 | HN1A | 120.0° | 123.9° |
N1 | C7 | C4 | C3 | 143.3° | 90.0° |
N1 | C7 | C4 | C5 | 36.9° | 90.0° |
N1 | C7 | C4 | H7 | 120.0° | 120.0° |
N1 | C7 | C4 | H7A | 120.0° | 119.9° |
N1 | C7 | H7 | H7A | 119.5° | 120.0° |
HN1 | N1 | C7 | C4 | 180.0° | 56.0° |
HN1 | N1 | C7 | H7 | 60.0° | 176.0° |
HN1 | N1 | C7 | H7A | 60.0° | 63.9° |
HN1A | N1 | C7 | C4 | 60.0° | 179.9° |
HN1A | N1 | C7 | H7 | 60.0° | 60.1° |
HN1A | N1 | C7 | H7A | 180.0° | 60.0° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 0.0° | 0.1° |
C2 | C3 | C4 | C7 | 179.8° | 180.0° |
H2 | C2 | C3 | C4 | 180.0° | 179.9° |
H2 | C2 | C3 | H3 | 0.1° | 0.0° |
C3 | C4 | C5 | C7 | 179.8° | 180.0° |
C3 | C4 | C5 | C6 | 0.0° | 0.2° |
C3 | C4 | C5 | H5 | 180.0° | 179.9° |
C3 | C4 | C7 | H7 | 23.3° | 30.0° |
C3 | C4 | C7 | H7A | 96.7° | 150.1° |
H3 | C3 | C4 | C5 | 180.0° | 180.0° |
H3 | C3 | C4 | C7 | 0.2° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.7° |
C4 | C5 | C6 | H6 | 179.9° | 179.7° |
C5 | C4 | C7 | H7 | 156.9° | 150.0° |
C5 | C4 | C7 | H7A | 83.1° | 29.9° |
C7 | C4 | C5 | C6 | 179.8° | 179.7° |
C7 | C4 | C5 | H5 | 0.2° | 0.0° |
C4 | C7 | H7 | H7A | 119.5° | 120.0° |
H5 | C5 | C6 | H6 | 0.1° | 0.0° |