OUH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.47Å | |
CA | CB | sing | 1.53Å | 1.56Å | |
CA | CM | sing | 1.53Å | 1.56Å | |
CB | CG | sing | 1.51Å | 1.51Å | |
ND1 | CG | sing | 1.37Å | 1.38Å | Aromatic |
ND1 | CE1 | sing | 1.35Å | 1.37Å | Aromatic |
N2 | CM | sing | 1.46Å | 1.46Å | |
N2 | C | sing | 1.35Å | 1.41Å | |
CG | CD2 | doub | 1.35Å | 1.37Å | Aromatic |
CE1 | NE2 | doub | 1.31Å | 1.29Å | Aromatic |
C | O | doub | 1.22Å | 1.23Å | |
CD2 | NE2 | sing | 1.34Å | 1.30Å | Aromatic |
N | H2 | sing | 1.01Å | 1.00Å | |
N | H | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
ND1 | HD1 | sing | 0.97Å | 1.00Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CM | HM2 | sing | 1.09Å | 1.10Å | |
CM | HM3 | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
C | OXT | sing | 1.35Å | 1.40Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | CB | 109.1° | 109.5° |
N | CA | CM | 112.5° | 109.4° |
CA | N | H2 | 109.5° | 111.0° |
CA | N | H | 109.5° | 111.0° |
N | CA | HA | 108.4° | 109.4° |
CB | CA | CM | 111.9° | 109.5° |
CA | CB | CG | 115.4° | 109.5° |
CB | CA | HA | 107.3° | 109.5° |
CA | CB | HB2 | 108.0° | 109.5° |
CA | CB | HB3 | 108.0° | 109.4° |
CA | CM | N2 | 114.7° | 109.5° |
CM | CA | HA | 107.3° | 109.5° |
CA | CM | HM2 | 108.2° | 109.4° |
CA | CM | HM3 | 108.2° | 109.5° |
CB | CG | ND1 | 128.1° | 126.6° |
CB | CG | CD2 | 125.5° | 126.6° |
CG | CB | HB2 | 108.0° | 109.5° |
CG | CB | HB3 | 108.0° | 109.5° |
CG | ND1 | CE1 | 103.1° | 107.2° |
ND1 | CG | CD2 | 106.3° | 106.8° |
CG | ND1 | HD1 | 128.5° | 126.3° |
ND1 | CE1 | NE2 | 113.4° | 108.7° |
CE1 | ND1 | HD1 | 128.4° | 126.4° |
ND1 | CE1 | HE1 | 123.3° | 125.7° |
CM | N2 | C | 122.6° | 120.0° |
N2 | CM | HM2 | 108.2° | 109.5° |
N2 | CM | HM3 | 108.1° | 109.5° |
CM | N2 | HN2 | 118.7° | 120.1° |
N2 | C | O | 119.9° | 120.0° |
C | N2 | HN2 | 118.7° | 119.9° |
N2 | C | OXT | 112.6° | 120.0° |
CG | CD2 | NE2 | 110.9° | 108.0° |
CG | CD2 | HD2 | 124.5° | 126.0° |
CE1 | NE2 | CD2 | 106.3° | 109.2° |
NE2 | CE1 | HE1 | 123.3° | 125.6° |
O | C | OXT | 119.2° | 120.0° |
NE2 | CD2 | HD2 | 124.6° | 126.0° |
H2 | N | H | 109.5° | 111.0° |
HB2 | CB | HB3 | 109.4° | 109.5° |
HM2 | CM | HM3 | 109.4° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | CA | CB | CM | 125.3° | 120.0° |
N | CA | CB | HA | 117.2° | 120.0° |
N | CA | CM | HA | 119.1° | 120.0° |
N | CA | CB | CG | 131.3° | 65.0° |
N | CA | CM | N2 | 51.3° | 55.0° |
CA | N | H2 | H | 120.0° | 123.9° |
N | CA | CB | HB2 | 107.9° | 55.0° |
N | CA | CB | HB3 | 10.4° | 175.0° |
N | CA | CM | HM2 | 172.1° | 175.0° |
N | CA | CM | HM3 | 69.5° | 65.0° |
CB | CA | CM | HA | 117.5° | 120.1° |
CA | CB | CG | HB2 | 120.9° | 120.0° |
CA | CB | CG | HB3 | 120.9° | 120.0° |
CA | CB | CG | ND1 | 95.5° | 95.3° |
CB | CA | CM | N2 | 174.7° | 175.0° |
CA | CB | CG | CD2 | 80.5° | 85.0° |
CB | CA | N | H2 | 180.0° | 60.0° |
CB | CA | N | H | 60.0° | 63.9° |
CA | CB | HB2 | HB3 | 117.3° | 120.0° |
CB | CA | CM | HM2 | 64.5° | 65.0° |
CB | CA | CM | HM3 | 53.9° | 55.0° |
CM | CA | CB | CG | 6.0° | 175.0° |
CA | CM | N2 | HM2 | 120.8° | 120.0° |
CA | CM | N2 | HM3 | 120.8° | 120.0° |
CA | CM | N2 | C | 100.0° | 179.9° |
CM | CA | N | H2 | 55.1° | 60.0° |
CM | CA | N | H | 64.9° | 176.1° |
CM | CA | CB | HB2 | 126.9° | 65.0° |
CM | CA | CB | HB3 | 114.9° | 55.0° |
CA | CM | HM2 | HM3 | 117.6° | 120.0° |
CA | CM | N2 | HN2 | 80.0° | 0.0° |
CB | CG | ND1 | CD2 | 176.6° | 179.7° |
CB | CG | ND1 | CE1 | 177.2° | 180.0° |
CB | CG | CD2 | NE2 | 175.8° | 180.0° |
CG | CB | CA | HA | 111.5° | 54.9° |
CG | CB | HB2 | HB3 | 117.3° | 120.0° |
CB | CG | CD2 | HD2 | 4.2° | 0.1° |
CB | CG | ND1 | HD1 | 2.8° | 0.0° |
CG | ND1 | CE1 | HD1 | 180.0° | 180.0° |
CG | ND1 | CE1 | NE2 | 2.0° | 0.2° |
ND1 | CG | CD2 | NE2 | 0.9° | 0.2° |
ND1 | CG | CB | HB2 | 143.6° | 144.7° |
ND1 | CG | CB | HB3 | 25.4° | 24.7° |
ND1 | CG | CD2 | HD2 | 179.1° | 179.8° |
CG | ND1 | CE1 | HE1 | 178.0° | 179.9° |
CE1 | ND1 | CG | CD2 | 0.6° | 0.2° |
ND1 | CE1 | NE2 | HE1 | 180.0° | 179.8° |
ND1 | CE1 | NE2 | CD2 | 2.6° | 0.0° |
CM | N2 | C | HN2 | 180.0° | 180.0° |
CM | N2 | C | O | 32.4° | 0.0° |
N2 | CM | CA | HA | 67.8° | 65.0° |
N2 | CM | HM2 | HM3 | 117.6° | 120.0° |
CM | N2 | C | OXT | 179.6° | 180.0° |
N2 | C | O | OXT | 145.9° | 180.0° |
C | N2 | CM | HM2 | 20.8° | 60.0° |
C | N2 | CM | HM3 | 139.2° | 60.0° |
N2 | C | OXT | HXT | 148.2° | 180.0° |
CG | CD2 | NE2 | CE1 | 2.1° | 0.1° |
CG | CD2 | NE2 | HD2 | 180.0° | 180.0° |
CD2 | CG | CB | HB2 | 40.4° | 35.0° |
CD2 | CG | CB | HB3 | 158.6° | 155.0° |
CD2 | CG | ND1 | HD1 | 179.4° | 179.8° |
CE1 | NE2 | CD2 | HD2 | 177.8° | 179.9° |
NE2 | CE1 | ND1 | HD1 | 178.0° | 179.8° |
O | C | N2 | HN2 | 147.6° | 180.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
CD2 | NE2 | CE1 | HE1 | 177.4° | 179.8° |
H2 | N | CA | HA | 63.4° | 180.0° |
H | N | CA | HA | 176.5° | 56.1° |
HA | CA | CB | HB2 | 9.4° | 174.9° |
HA | CA | CB | HB3 | 127.6° | 65.0° |
HA | CA | CM | HM2 | 53.0° | 55.0° |
HA | CA | CM | HM3 | 171.4° | 175.0° |
HD1 | ND1 | CE1 | HE1 | 2.0° | 0.1° |
HM2 | CM | N2 | HN2 | 159.2° | 120.0° |
HM3 | CM | N2 | HN2 | 40.8° | 120.0° |
HN2 | N2 | C | OXT | 0.5° | 0.0° |