PG3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OA | CB | sing | 1.43Å | 1.40Å | |
OA | HA | sing | 0.97Å | 0.96Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | HB1 | sing | 1.09Å | 1.09Å | |
CB | HB2 | sing | 1.09Å | 1.09Å | |
CG | CD | sing | 1.53Å | 1.54Å | |
CG | HG1 | sing | 1.09Å | 1.09Å | |
CG | HG2 | sing | 1.09Å | 1.09Å | |
CD | NE | sing | 1.46Å | 1.47Å | |
CD | HD1 | sing | 1.09Å | 1.08Å | |
CD | HD2 | sing | 1.09Å | 1.09Å | |
NE | CZ | sing | 1.37Å | 1.34Å | |
NE | HE | sing | 0.97Å | 1.01Å | |
CZ | NH1 | doub | 1.34Å | 1.34Å | |
CZ | NH2 | sing | 1.34Å | 1.34Å | |
NH1 | HH11 | sing | 0.97Å | 1.01Å | |
NH1 | HH12 | sing | 0.97Å | 1.01Å | |
NH2 | HH21 | sing | 0.97Å | 1.01Å | |
NH2 | HH22 | sing | 0.97Å | 1.01Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CB | OA | HA | 108.7° | 106.7° |
OA | CB | CG | 106.5° | 109.4° |
OA | CB | HB1 | 111.2° | 109.5° |
OA | CB | HB2 | 109.4° | 109.5° |
CG | CB | HB1 | 111.1° | 109.5° |
CG | CB | HB2 | 109.5° | 109.5° |
CB | CG | CD | 108.5° | 109.4° |
CB | CG | HG1 | 108.3° | 109.5° |
CB | CG | HG2 | 110.7° | 109.5° |
HB1 | CB | HB2 | 109.2° | 109.5° |
CD | CG | HG1 | 111.9° | 109.5° |
CD | CG | HG2 | 109.5° | 109.5° |
CG | CD | NE | 109.7° | 109.5° |
CG | CD | HD1 | 109.6° | 109.5° |
CG | CD | HD2 | 110.1° | 109.5° |
HG1 | CG | HG2 | 108.0° | 109.5° |
NE | CD | HD1 | 110.3° | 109.5° |
NE | CD | HD2 | 109.3° | 109.5° |
CD | NE | CZ | 118.5° | 120.0° |
CD | NE | HE | 117.2° | 120.0° |
HD1 | CD | HD2 | 107.9° | 109.4° |
CZ | NE | HE | 118.5° | 120.0° |
NE | CZ | NH1 | 121.1° | 120.0° |
NE | CZ | NH2 | 122.0° | 120.0° |
NH1 | CZ | NH2 | 116.7° | 120.0° |
CZ | NH1 | HH11 | 120.0° | 120.1° |
CZ | NH1 | HH12 | 119.4° | 120.0° |
CZ | NH2 | HH21 | 119.5° | 120.1° |
CZ | NH2 | HH22 | 120.0° | 120.0° |
HH11 | NH1 | HH12 | 120.5° | 119.9° |
HH21 | NH2 | HH22 | 120.5° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OA | CB | CG | HB1 | 121.2° | 120.0° |
OA | CB | CG | HB2 | 118.2° | 120.0° |
OA | CB | HB1 | HB2 | 120.8° | 120.1° |
OA | CB | CG | CD | 76.5° | 180.0° |
OA | CB | CG | HG1 | 161.9° | 60.0° |
OA | CB | CG | HG2 | 43.6° | 60.0° |
HA | OA | CB | CG | 56.2° | 180.0° |
HA | OA | CB | HB1 | 64.9° | 60.0° |
HA | OA | CB | HB2 | 174.4° | 60.0° |
CG | CB | HB1 | HB2 | 120.8° | 120.0° |
CB | CG | CD | HG1 | 119.4° | 120.0° |
CB | CG | CD | HG2 | 120.9° | 120.0° |
CB | CG | HG1 | HG2 | 119.9° | 120.0° |
CB | CG | CD | NE | 155.5° | 180.0° |
CB | CG | CD | HD1 | 83.2° | 60.0° |
CB | CG | CD | HD2 | 35.2° | 60.0° |
HB1 | CB | CG | CD | 44.7° | 60.0° |
HB1 | CB | CG | HG1 | 76.9° | 60.0° |
HB1 | CB | CG | HG2 | 164.9° | 180.0° |
HB2 | CB | CG | CD | 165.3° | 60.0° |
HB2 | CB | CG | HG1 | 43.7° | 180.0° |
HB2 | CB | CG | HG2 | 74.5° | 60.0° |
CD | CG | HG1 | HG2 | 120.6° | 120.0° |
CG | CD | NE | HD1 | 120.8° | 120.0° |
CG | CD | NE | HD2 | 120.8° | 120.0° |
CG | CD | HD1 | HD2 | 119.8° | 120.0° |
CG | CD | NE | CZ | 84.4° | 180.0° |
CG | CD | NE | HE | 122.9° | 0.0° |
HG1 | CG | CD | NE | 36.2° | 60.0° |
HG1 | CG | CD | HD1 | 157.4° | 180.0° |
HG1 | CG | CD | HD2 | 84.1° | 60.0° |
HG2 | CG | CD | NE | 83.6° | 60.0° |
HG2 | CG | CD | HD1 | 37.6° | 60.0° |
HG2 | CG | CD | HD2 | 156.1° | 180.0° |
NE | CD | HD1 | HD2 | 119.3° | 120.0° |
CD | NE | CZ | HE | 152.4° | 180.0° |
CD | NE | CZ | NH1 | 30.3° | 0.0° |
CD | NE | CZ | NH2 | 144.7° | 180.0° |
HD1 | CD | NE | CZ | 154.8° | 60.0° |
HD1 | CD | NE | HE | 2.1° | 120.0° |
HD2 | CD | NE | CZ | 36.4° | 60.0° |
HD2 | CD | NE | HE | 116.4° | 120.0° |
NE | CZ | NH1 | NH2 | 175.2° | 180.0° |
NE | CZ | NH1 | HH11 | 173.2° | 0.0° |
NE | CZ | NH1 | HH12 | 4.0° | 179.7° |
NE | CZ | NH2 | HH21 | 3.5° | 180.0° |
NE | CZ | NH2 | HH22 | 176.9° | 0.0° |
HE | NE | CZ | NH1 | 177.4° | 180.0° |
HE | NE | CZ | NH2 | 7.7° | 0.0° |
CZ | NH1 | HH11 | HH12 | 177.2° | 179.7° |
NH1 | CZ | NH2 | HH21 | 178.7° | 0.0° |
NH1 | CZ | NH2 | HH22 | 1.7° | 180.0° |
NH2 | CZ | NH1 | HH11 | 2.0° | 180.0° |
NH2 | CZ | NH1 | HH12 | 179.2° | 0.3° |
CZ | NH2 | HH21 | HH22 | 179.6° | 180.0° |