E9V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CE1 | ND1 | sing | 1.35Å | 1.32Å | Aromatic |
CE1 | NE2 | doub | 1.31Å | 1.32Å | Aromatic |
ND1 | CG | sing | 1.37Å | 1.38Å | Aromatic |
NE2 | CD2 | sing | 1.34Å | 1.37Å | Aromatic |
CN2 | N | sing | 1.47Å | 1.47Å | |
CG | CD2 | doub | 1.35Å | 1.35Å | Aromatic |
CG | CB | sing | 1.51Å | 1.50Å | |
N | CA | sing | 1.47Å | 1.46Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
CA | C | sing | 1.51Å | 1.53Å | |
C | O | doub | 1.21Å | 1.23Å | |
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 | |
ND1 | HD1 | sing | 0.97Å | 1.00Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CN2 | HN3 | sing | 1.09Å | 1.10Å | |
CN2 | HN1 | sing | 1.09Å | 1.10Å | |
CN2 | HN2 | sing | 1.09Å | 1.10Å | |
C | OXT | sing | 1.34Å | 1.26Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
ND1 | CE1 | NE2 | 108.4° | 108.7° |
CE1 | ND1 | CG | 109.3° | 107.2° |
CE1 | ND1 | HD1 | 125.3° | 126.4° |
ND1 | CE1 | HE1 | 125.8° | 125.6° |
CE1 | NE2 | CD2 | 108.9° | 109.2° |
NE2 | CE1 | HE1 | 125.8° | 125.7° |
ND1 | CG | CD2 | 106.1° | 106.8° |
ND1 | CG | CB | 123.1° | 126.6° |
CG | ND1 | HD1 | 125.3° | 126.4° |
NE2 | CD2 | CG | 107.2° | 108.0° |
NE2 | CD2 | HD2 | 126.4° | 126.0° |
CN2 | N | CA | 119.3° | 111.0° |
CN2 | N | H | 106.9° | 111.0° |
N | CN2 | HN3 | 109.5° | 109.5° |
N | CN2 | HN1 | 109.5° | 109.5° |
N | CN2 | HN2 | 109.5° | 109.5° |
CD2 | CG | CB | 130.8° | 126.6° |
CG | CD2 | HD2 | 126.3° | 126.0° |
CG | CB | CA | 113.6° | 109.5° |
CG | CB | HB2 | 108.4° | 109.4° |
CG | CB | HB3 | 108.5° | 109.5° |
N | CA | CB | 110.3° | 109.5° |
N | CA | C | 110.9° | 109.5° |
CA | N | H | 107.0° | 111.0° |
N | CA | HA | 109.2° | 109.4° |
CB | CA | C | 110.0° | 109.5° |
CB | CA | HA | 108.2° | 109.5° |
CA | CB | HB2 | 108.4° | 109.5° |
CA | CB | HB3 | 108.4° | 109.5° |
CA | C | O | 120.9° | 120.0° |
C | CA | HA | 108.3° | 109.5° |
CA | C | OXT | 116.9° | 120.0° |
O | C | OXT | 122.2° | 120.0° |
HB2 | CB | HB3 | 109.4° | 109.5° |
HN3 | CN2 | HN1 | 109.4° | 109.5° |
HN3 | CN2 | HN2 | 109.4° | 109.5° |
HN1 | CN2 | HN2 | 109.5° | 109.4° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
ND1 | CE1 | NE2 | HE1 | 180.0° | 179.8° |
CE1 | ND1 | CG | HD1 | 180.0° | 180.0° |
ND1 | CE1 | NE2 | CD2 | 0.0° | 0.4° |
CE1 | ND1 | CG | CD2 | 0.0° | 0.0° |
CE1 | ND1 | CG | CB | 180.0° | 179.7° |
NE2 | CE1 | ND1 | CG | 0.0° | 0.3° |
CE1 | NE2 | CD2 | CG | 0.0° | 0.4° |
NE2 | CE1 | ND1 | HD1 | 180.0° | 179.7° |
CE1 | NE2 | CD2 | HD2 | 180.0° | 179.5° |
ND1 | CG | CD2 | NE2 | 0.0° | 0.2° |
ND1 | CG | CD2 | CB | 180.0° | 179.7° |
ND1 | CG | CB | CA | 148.0° | 94.7° |
ND1 | CG | CB | HB2 | 91.4° | 145.3° |
ND1 | CG | CB | HB3 | 27.3° | 25.3° |
ND1 | CG | CD2 | HD2 | 180.0° | 179.7° |
CG | ND1 | CE1 | HE1 | 180.0° | 180.0° |
NE2 | CD2 | CG | HD2 | 180.0° | 179.9° |
NE2 | CD2 | CG | CB | 180.0° | 180.0° |
CD2 | NE2 | CE1 | HE1 | 180.0° | 179.8° |
CN2 | N | CA | H | 121.4° | 124.0° |
CN2 | N | CA | CB | 56.5° | 157.1° |
CN2 | N | CA | C | 65.5° | 82.9° |
CN2 | N | CA | HA | 175.2° | 37.1° |
N | CN2 | HN3 | HN1 | 120.0° | 120.0° |
N | CN2 | HN3 | HN2 | 120.0° | 120.0° |
N | CN2 | HN1 | HN2 | 120.0° | 120.0° |
CD2 | CG | CB | CA | 32.0° | 85.0° |
CD2 | CG | CB | HB2 | 88.6° | 35.0° |
CD2 | CG | CB | HB3 | 152.7° | 155.0° |
CD2 | CG | ND1 | HD1 | 180.0° | 180.0° |
CG | CB | CA | N | 47.5° | 65.0° |
CG | CB | CA | HB2 | 120.6° | 120.0° |
CG | CB | CA | HB3 | 120.7° | 120.0° |
CG | CB | CA | C | 170.1° | 175.0° |
CG | CB | CA | HA | 71.8° | 55.0° |
CG | CB | HB2 | HB3 | 118.1° | 120.0° |
CB | CG | ND1 | HD1 | 0.0° | 0.3° |
CB | CG | CD2 | HD2 | 0.0° | 0.0° |
N | CA | CB | C | 122.6° | 120.0° |
N | CA | CB | HA | 119.3° | 120.0° |
N | CA | C | HA | 119.7° | 120.0° |
N | CA | C | O | 163.2° | 26.7° |
N | CA | CB | HB2 | 168.1° | 55.0° |
N | CA | CB | HB3 | 73.1° | 175.0° |
CA | N | CN2 | HN3 | 180.0° | 55.5° |
CA | N | CN2 | HN1 | 60.0° | 64.5° |
CA | N | CN2 | HN2 | 60.0° | 175.5° |
N | CA | C | OXT | 15.1° | 153.4° |
CB | CA | C | HA | 118.1° | 120.0° |
CB | CA | C | O | 41.0° | 93.4° |
CB | CA | N | H | 177.8° | 33.1° |
CA | CB | HB2 | HB3 | 118.1° | 120.0° |
CB | CA | C | OXT | 137.3° | 86.5° |
CA | C | O | OXT | 178.2° | 179.9° |
C | CA | N | H | 55.8° | 153.1° |
C | CA | CB | HB2 | 69.3° | 65.0° |
C | CA | CB | HB3 | 49.4° | 55.0° |
CA | C | OXT | HXT | 178.3° | 180.0° |
O | C | CA | HA | 77.1° | 146.6° |
O | C | OXT | HXT | 0.0° | 0.1° |
H | N | CA | HA | 63.4° | 86.9° |
H | N | CN2 | HN3 | 58.6° | 68.4° |
H | N | CN2 | HN1 | 61.4° | 171.5° |
H | N | CN2 | HN2 | 178.6° | 51.6° |
HA | CA | CB | HB2 | 48.8° | 175.0° |
HA | CA | CB | HB3 | 167.5° | 65.0° |
HA | CA | C | OXT | 104.6° | 33.5° |
HD1 | ND1 | CE1 | HE1 | 0.0° | 0.0° |
HN3 | CN2 | HN1 | HN2 | 120.0° | 120.0° |