Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.47Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
CB | CG | sing | 1.51Å | 1.50Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | ND1 | sing | 1.34Å | 1.38Å | Aromatic |
CG | CD2 | doub | 1.35Å | 1.35Å | Aromatic |
ND1 | CE1 | doub | 1.31Å | 1.32Å | Aromatic |
CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.10Å | |
CE1 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
NE2 | CM | sing | 1.47Å | 1.46Å | |
CM | HM1 | sing | 1.09Å | 1.11Å | |
CM | HM2 | sing | 1.09Å | 1.11Å | |
CM | HM3 | sing | 1.09Å | 1.11Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 112.9° | 106.7° |
CA | N | HN2 | 111.0° | 106.7° |
N | CA | C | 112.9° | 109.5° |
N | CA | CB | 110.1° | 109.5° |
N | CA | HA | 106.8° | 109.4° |
H | N | HN2 | 111.0° | 106.7° |
C | CA | CB | 109.9° | 109.5° |
C | CA | HA | 107.0° | 109.4° |
CA | C | O | 121.3° | 119.9° |
CA | C | OXT | 118.0° | 120.1° |
CB | CA | HA | 110.0° | 109.5° |
CA | CB | CG | 114.9° | 109.5° |
CA | CB | HB1 | 110.2° | 109.5° |
CA | CB | HB2 | 110.2° | 109.5° |
O | C | OXT | 120.7° | 119.9° |
C | OXT | HXT | 118.0° | 120.0° |
CG | CB | HB1 | 110.2° | 109.5° |
CG | CB | HB2 | 110.3° | 109.5° |
CB | CG | ND1 | 123.1° | 126.0° |
CB | CG | CD2 | 131.0° | 126.0° |
HB1 | CB | HB2 | 100.1° | 109.4° |
ND1 | CG | CD2 | 105.9° | 108.0° |
CG | ND1 | CE1 | 109.8° | 109.2° |
CG | CD2 | NE2 | 107.3° | 106.8° |
CG | CD2 | HD2 | 125.5° | 126.6° |
ND1 | CE1 | NE2 | 108.1° | 108.7° |
ND1 | CE1 | HE1 | 125.9° | 125.7° |
NE2 | CD2 | HD2 | 127.2° | 126.6° |
CD2 | NE2 | CE1 | 108.9° | 107.2° |
CD2 | NE2 | CM | 133.0° | 126.4° |
NE2 | CE1 | HE1 | 126.0° | 125.6° |
CE1 | NE2 | CM | 116.6° | 126.4° |
NE2 | CM | HM1 | 133.0° | 109.4° |
NE2 | CM | HM2 | 104.1° | 109.5° |
NE2 | CM | HM3 | 104.1° | 109.5° |
HM1 | CM | HM2 | 104.1° | 109.5° |
HM1 | CM | HM3 | 104.1° | 109.5° |
HM2 | CM | HM3 | 104.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | HN2 | 125.3° | 113.8° |
N | CA | C | CB | 123.4° | 120.1° |
N | CA | C | HA | 117.2° | 119.9° |
N | CA | CB | HA | 117.5° | 120.0° |
N | CA | C | O | 144.5° | 30.0° |
N | CA | C | OXT | 37.8° | 150.0° |
N | CA | CB | CG | 55.6° | 60.0° |
N | CA | CB | HB1 | 69.7° | 180.0° |
N | CA | CB | HB2 | 179.2° | 60.1° |
H | N | CA | C | 180.0° | 173.8° |
H | N | CA | CB | 56.7° | 53.7° |
H | N | CA | HA | 62.7° | 66.2° |
HN2 | N | CA | C | 54.7° | 60.0° |
HN2 | N | CA | CB | 68.5° | 60.0° |
HN2 | N | CA | HA | 172.0° | 180.0° |
C | CA | CB | HA | 117.6° | 119.9° |
CA | C | O | OXT | 177.6° | 180.0° |
C | CA | CB | CG | 179.5° | 179.9° |
C | CA | CB | HB1 | 55.3° | 59.9° |
C | CA | CB | HB2 | 54.2° | 60.0° |
CA | C | OXT | HXT | 180.0° | 180.0° |
CB | CA | C | O | 21.1° | 90.1° |
CB | CA | C | OXT | 161.2° | 89.9° |
CA | CB | CG | HB1 | 125.2° | 120.0° |
CA | CB | CG | HB2 | 125.2° | 120.0° |
CA | CB | HB1 | HB2 | 116.0° | 120.0° |
CA | CB | CG | ND1 | 59.7° | 60.1° |
CA | CB | CG | CD2 | 122.2° | 120.3° |
HA | CA | C | O | 98.3° | 150.0° |
HA | CA | C | OXT | 79.4° | 30.0° |
HA | CA | CB | CG | 61.9° | 60.0° |
HA | CA | CB | HB1 | 172.9° | 60.0° |
HA | CA | CB | HB2 | 63.4° | 180.0° |
O | C | OXT | HXT | 2.3° | 0.0° |
CG | CB | HB1 | HB2 | 116.1° | 120.0° |
CB | CG | ND1 | CD2 | 178.5° | 179.7° |
CB | CG | ND1 | CE1 | 179.4° | 180.0° |
CB | CG | CD2 | NE2 | 179.2° | 179.9° |
CB | CG | CD2 | HD2 | 0.8° | 0.3° |
HB1 | CB | CG | ND1 | 175.1° | 59.9° |
HB1 | CB | CG | CD2 | 3.0° | 119.7° |
HB2 | CB | CG | ND1 | 65.6° | 179.9° |
HB2 | CB | CG | CD2 | 112.5° | 0.3° |
ND1 | CG | CD2 | NE2 | 0.8° | 0.5° |
ND1 | CG | CD2 | HD2 | 179.2° | 179.9° |
CG | ND1 | CE1 | NE2 | 0.6° | 0.0° |
CG | ND1 | CE1 | HE1 | 179.3° | 180.0° |
CD2 | CG | ND1 | CE1 | 0.9° | 0.3° |
CG | CD2 | NE2 | HD2 | 180.0° | 179.6° |
CG | CD2 | NE2 | CE1 | 0.5° | 0.4° |
CG | CD2 | NE2 | CM | 165.6° | 179.9° |
ND1 | CE1 | NE2 | CD2 | 0.1° | 0.2° |
ND1 | CE1 | NE2 | HE1 | 179.9° | 180.0° |
ND1 | CE1 | NE2 | CM | 167.8° | 180.0° |
CD2 | NE2 | CE1 | CM | 167.9° | 179.7° |
CD2 | NE2 | CE1 | HE1 | 179.9° | 179.7° |
CD2 | NE2 | CM | HM1 | 180.0° | 90.3° |
CD2 | NE2 | CM | HM2 | 54.7° | 29.7° |
CD2 | NE2 | CM | HM3 | 54.7° | 149.7° |
HD2 | CD2 | NE2 | CE1 | 179.5° | 179.9° |
HD2 | CD2 | NE2 | CM | 14.4° | 0.2° |
CE1 | NE2 | CM | HM1 | 15.8° | 90.1° |
CE1 | NE2 | CM | HM2 | 141.0° | 150.0° |
CE1 | NE2 | CM | HM3 | 109.5° | 29.9° |
HE1 | CE1 | NE2 | CM | 12.2° | 0.0° |
NE2 | CM | HM1 | HM2 | 125.2° | 120.0° |
NE2 | CM | HM1 | HM3 | 125.3° | 120.0° |
NE2 | CM | HM2 | HM3 | 109.0° | 120.0° |
HM1 | CM | HM2 | HM3 | 109.1° | 120.0° |