ALQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CM | CA | sing | 1.53Å | 1.52Å | |
CM | HM1 | sing | 1.09Å | 1.10Å | |
CM | HM2 | sing | 1.09Å | 1.10Å | |
CM | HM3 | sing | 1.09Å | 1.10Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | CM | HM1 | 109.5° | 109.5° |
CA | CM | HM2 | 109.5° | 109.5° |
CA | CM | HM3 | 109.4° | 109.5° |
CM | CA | CB | 111.0° | 109.5° |
CM | CA | C | 109.0° | 109.4° |
CM | CA | HA | 108.9° | 109.5° |
HM1 | CM | HM2 | 109.4° | 109.5° |
HM1 | CM | HM3 | 109.5° | 109.4° |
HM2 | CM | HM3 | 109.5° | 109.5° |
CB | CA | C | 109.8° | 109.4° |
CB | CA | HA | 108.1° | 109.5° |
CA | CB | HB1 | 109.5° | 109.5° |
CA | CB | HB2 | 109.4° | 109.5° |
CA | CB | HB3 | 109.5° | 109.5° |
C | CA | HA | 110.1° | 109.5° |
CA | C | O | 120.8° | 120.0° |
CA | C | OXT | 116.3° | 120.0° |
HB1 | CB | HB2 | 109.5° | 109.5° |
HB1 | CB | HB3 | 109.5° | 109.4° |
HB2 | CB | HB3 | 109.5° | 109.5° |
O | C | OXT | 122.9° | 120.0° |
C | OXT | HXT | 109.5° | 117.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | CM | HM1 | HM2 | 120.0° | 120.0° |
CA | CM | HM1 | HM3 | 120.0° | 120.0° |
CA | CM | HM2 | HM3 | 120.0° | 120.1° |
CM | CA | CB | C | 120.5° | 119.9° |
CM | CA | CB | HA | 119.3° | 120.1° |
CM | CA | C | HA | 119.4° | 120.0° |
CM | CA | CB | HB1 | 180.0° | 59.9° |
CM | CA | CB | HB2 | 60.0° | 180.0° |
CM | CA | CB | HB3 | 60.0° | 60.0° |
CM | CA | C | O | 41.7° | 120.0° |
CM | CA | C | OXT | 139.7° | 60.0° |
HM1 | CM | HM2 | HM3 | 120.0° | 119.9° |
HM1 | CM | CA | CB | 180.0° | 60.0° |
HM1 | CM | CA | C | 59.0° | 180.0° |
HM1 | CM | CA | HA | 61.1° | 60.1° |
HM2 | CM | CA | CB | 60.0° | 180.0° |
HM2 | CM | CA | C | 61.0° | 60.0° |
HM2 | CM | CA | HA | 178.9° | 59.9° |
HM3 | CM | CA | CB | 60.0° | 59.9° |
HM3 | CM | CA | C | 179.0° | 60.0° |
HM3 | CM | CA | HA | 58.9° | 180.0° |
CB | CA | C | HA | 118.9° | 120.0° |
CA | CB | HB1 | HB2 | 120.0° | 120.0° |
CA | CB | HB1 | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 120.0° | 120.0° |
CB | CA | C | O | 80.0° | 0.0° |
CB | CA | C | OXT | 98.6° | 180.0° |
C | CA | CB | HB1 | 59.5° | 60.0° |
C | CA | CB | HB2 | 179.5° | 60.0° |
C | CA | CB | HB3 | 60.5° | 180.0° |
CA | C | O | OXT | 178.5° | 180.0° |
CA | C | OXT | HXT | 178.6° | 179.9° |
HA | CA | CB | HB1 | 60.7° | 180.0° |
HA | CA | CB | HB2 | 59.3° | 60.0° |
HA | CA | CB | HB3 | 179.3° | 60.0° |
HA | CA | C | O | 161.0° | 120.0° |
HA | CA | C | OXT | 20.4° | 60.0° |
HB1 | CB | HB2 | HB3 | 120.0° | 120.0° |
O | C | OXT | HXT | 0.0° | 0.0° |