ORQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.53Å | 1.52Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.53Å | 1.53Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CG | HG3 | sing | 1.09Å | 1.10Å | |
CD | NE | sing | 1.47Å | 1.46Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
NE | C1 | sing | 1.35Å | 1.33Å | |
NE | HE | sing | 0.97Å | 1.00Å | |
O1 | C1 | doub | 1.21Å | 1.23Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C2 | H23 | sing | 1.09Å | 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 | 109.5° | 106.7° |
CA | N | H2 | 109.5° | 106.7° |
N | CA | CB | 110.2° | 109.4° |
N | CA | C | 108.4° | 109.5° |
N | CA | HA | 109.6° | 109.5° |
H | N | H2 | 109.5° | 106.7° |
CB | CA | C | 109.2° | 109.5° |
CB | CA | HA | 108.8° | 109.5° |
CA | CB | CG | 113.8° | 109.5° |
CA | CB | HB2 | 107.1° | 109.5° |
CA | CB | HB3 | 108.1° | 109.5° |
C | CA | HA | 110.7° | 109.5° |
CA | C | O | 121.2° | 120.0° |
CA | C | OXT | 115.9° | 120.0° |
CG | CB | HB2 | 107.1° | 109.4° |
CG | CB | HB3 | 108.1° | 109.5° |
CB | CG | CD | 112.8° | 109.5° |
CB | CG | HG2 | 107.6° | 109.5° |
CB | CG | HG3 | 108.4° | 109.5° |
HB2 | CB | HB3 | 112.9° | 109.4° |
CD | CG | HG2 | 107.6° | 109.4° |
CD | CG | HG3 | 108.4° | 109.4° |
CG | CD | NE | 113.7° | 109.5° |
CG | CD | HD2 | 107.1° | 109.4° |
CG | CD | HD3 | 108.0° | 109.4° |
HG2 | CG | HG3 | 112.1° | 109.5° |
NE | CD | HD2 | 107.1° | 109.5° |
NE | CD | HD3 | 108.1° | 109.5° |
CD | NE | C1 | 124.1° | 120.0° |
CD | NE | HE | 117.9° | 120.0° |
HD2 | CD | HD3 | 112.9° | 109.5° |
C1 | NE | HE | 118.0° | 120.0° |
NE | C1 | O1 | 118.6° | 120.0° |
NE | C1 | C2 | 106.7° | 120.0° |
O1 | C1 | C2 | 101.1° | 120.0° |
O | C | OXT | 122.8° | 120.0° |
C | OXT | HXT | 109.5° | 120.0° |
C1 | C2 | H21 | 109.5° | 109.4° |
C1 | C2 | H22 | 109.5° | 109.5° |
C1 | C2 | H23 | 109.5° | 109.4° |
H21 | C2 | H22 | 109.5° | 109.5° |
H21 | C2 | H23 | 109.4° | 109.5° |
H22 | C2 | H23 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 120.0° | 113.8° |
N | CA | CB | C | 118.9° | 120.0° |
N | CA | CB | HA | 120.2° | 120.0° |
N | CA | C | HA | 120.2° | 120.0° |
N | CA | CB | CG | 178.9° | 65.0° |
N | CA | CB | HB2 | 60.8° | 175.0° |
N | CA | CB | HB3 | 61.1° | 55.0° |
N | CA | C | O | 129.5° | 20.0° |
N | CA | C | OXT | 49.8° | 160.0° |
H | N | CA | CB | 52.2° | 60.0° |
H | N | CA | C | 67.3° | 60.0° |
H | N | CA | HA | 171.9° | 180.0° |
H2 | N | CA | CB | 172.2° | 53.8° |
H2 | N | CA | C | 52.8° | 173.8° |
H2 | N | CA | HA | 68.1° | 66.3° |
CB | CA | C | HA | 119.7° | 120.1° |
CA | CB | CG | HB2 | 118.1° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.1° |
CA | CB | HB2 | HB3 | 118.8° | 120.0° |
CA | CB | CG | CD | 153.3° | 180.0° |
CA | CB | CG | HG2 | 88.1° | 60.0° |
CA | CB | CG | HG3 | 33.3° | 60.0° |
CB | CA | C | O | 110.4° | 100.0° |
CB | CA | C | OXT | 70.3° | 80.0° |
C | CA | CB | CG | 60.0° | 175.0° |
C | CA | CB | HB2 | 58.1° | 55.0° |
C | CA | CB | HB3 | 180.0° | 65.0° |
CA | C | O | OXT | 179.2° | 180.0° |
CA | C | OXT | HXT | 179.3° | 180.0° |
HA | CA | CB | CG | 60.8° | 55.0° |
HA | CA | CB | HB2 | 179.0° | 65.0° |
HA | CA | CB | HB3 | 59.2° | 175.0° |
HA | CA | C | O | 9.3° | 140.0° |
HA | CA | C | OXT | 170.0° | 40.0° |
CG | CB | HB2 | HB3 | 118.8° | 120.0° |
CB | CG | CD | HG2 | 118.6° | 120.0° |
CB | CG | CD | HG3 | 120.0° | 120.0° |
CB | CG | HG2 | HG3 | 119.1° | 120.1° |
CB | CG | CD | NE | 63.1° | 180.0° |
CB | CG | CD | HD2 | 178.8° | 60.0° |
CB | CG | CD | HD3 | 56.9° | 60.0° |
HB2 | CB | CG | CD | 35.2° | 60.0° |
HB2 | CB | CG | HG2 | 153.8° | 180.0° |
HB2 | CB | CG | HG3 | 84.8° | 60.0° |
HB3 | CB | CG | CD | 86.7° | 60.0° |
HB3 | CB | CG | HG2 | 31.9° | 60.0° |
HB3 | CB | CG | HG3 | 153.3° | 179.9° |
CD | CG | HG2 | HG3 | 119.1° | 119.9° |
CG | CD | NE | HD2 | 118.1° | 120.0° |
CG | CD | NE | HD3 | 120.0° | 119.9° |
CG | CD | HD2 | HD3 | 118.8° | 120.0° |
CG | CD | NE | C1 | 88.7° | 180.0° |
CG | CD | NE | HE | 91.3° | 0.0° |
HG2 | CG | CD | NE | 55.5° | 60.0° |
HG2 | CG | CD | HD2 | 62.6° | 180.0° |
HG2 | CG | CD | HD3 | 175.5° | 60.0° |
HG3 | CG | CD | NE | 177.0° | 60.0° |
HG3 | CG | CD | HD2 | 58.8° | 60.0° |
HG3 | CG | CD | HD3 | 63.1° | 180.0° |
NE | CD | HD2 | HD3 | 118.9° | 120.1° |
CD | NE | C1 | HE | 180.0° | 180.0° |
CD | NE | C1 | O1 | 175.2° | 0.1° |
CD | NE | C1 | C2 | 71.7° | 180.0° |
HD2 | CD | NE | C1 | 153.2° | 60.0° |
HD2 | CD | NE | HE | 26.8° | 119.9° |
HD3 | CD | NE | C1 | 31.3° | 60.1° |
HD3 | CD | NE | HE | 148.7° | 120.0° |
NE | C1 | O1 | C2 | 116.1° | 180.0° |
NE | C1 | C2 | H21 | 158.0° | 90.1° |
NE | C1 | C2 | H22 | 82.0° | 30.0° |
NE | C1 | C2 | H23 | 38.0° | 150.0° |
HE | NE | C1 | O1 | 4.8° | 180.0° |
HE | NE | C1 | C2 | 108.3° | 0.0° |
O1 | C1 | C2 | H21 | 77.4° | 90.0° |
O1 | C1 | C2 | H22 | 42.7° | 150.0° |
O1 | C1 | C2 | H23 | 162.7° | 30.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
C1 | C2 | H21 | H22 | 120.0° | 120.0° |
C1 | C2 | H21 | H23 | 120.0° | 119.9° |
C1 | C2 | H22 | H23 | 120.0° | 120.0° |
H21 | C2 | H22 | H23 | 120.0° | 120.0° |