HIA
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 | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
CB | CG | sing | 1.51Å | 1.50Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CB | HB3 | sing | 1.09Å | 1.12Å | |
CG | ND1 | sing | 1.37Å | 1.38Å | Aromatic |
CG | CD2 | doub | 1.35Å | 1.36Å | Aromatic |
ND1 | CE1 | sing | 1.35Å | 1.32Å | Aromatic |
ND1 | HD1 | sing | 0.97Å | 1.02Å | |
CD2 | NE2 | sing | 1.34Å | 1.37Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.10Å | |
CE1 | NE2 | doub | 1.30Å | 1.32Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | NXT | sing | 1.35Å | 1.25Å | |
NXT | HXT1 | sing | 0.97Å | 1.02Å | |
NXT | HXT2 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 139.7° | 106.6° |
CA | N | H2 | 139.6° | 106.7° |
N | CA | CB | 110.6° | 109.5° |
N | CA | C | 112.5° | 109.5° |
N | CA | HA | 108.0° | 109.5° |
H | N | H2 | 63.8° | 106.8° |
CB | CA | C | 109.6° | 109.5° |
CB | CA | HA | 108.0° | 109.4° |
CA | CB | CG | 113.7° | 109.5° |
CA | CB | HB2 | 110.7° | 109.5° |
CA | CB | HB3 | 110.6° | 109.5° |
C | CA | HA | 108.0° | 109.4° |
CA | C | O | 117.6° | 120.1° |
CA | C | NXT | 118.3° | 120.0° |
CG | CB | HB2 | 110.6° | 109.5° |
CG | CB | HB3 | 110.7° | 109.4° |
CB | CG | ND1 | 122.7° | 126.6° |
CB | CG | CD2 | 131.2° | 126.6° |
HB2 | CB | HB3 | 99.6° | 109.4° |
ND1 | CG | CD2 | 106.1° | 106.9° |
CG | ND1 | CE1 | 109.4° | 107.2° |
CG | ND1 | HD1 | 125.3° | 126.4° |
CG | CD2 | NE2 | 107.2° | 108.0° |
CG | CD2 | HD2 | 126.4° | 126.1° |
CE1 | ND1 | HD1 | 125.3° | 126.4° |
ND1 | CE1 | NE2 | 108.3° | 108.7° |
ND1 | CE1 | HE1 | 125.8° | 125.6° |
NE2 | CD2 | HD2 | 126.4° | 126.0° |
CD2 | NE2 | CE1 | 109.0° | 109.2° |
NE2 | CE1 | HE1 | 125.9° | 125.6° |
O | C | NXT | 124.1° | 119.9° |
C | NXT | HXT1 | 118.3° | 120.0° |
C | NXT | HXT2 | 124.1° | 120.0° |
HXT1 | NXT | HXT2 | 117.6° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 137.1° | 113.7° |
N | CA | CB | C | 124.6° | 120.0° |
N | CA | CB | HA | 118.0° | 120.0° |
N | CA | C | HA | 119.1° | 120.0° |
N | CA | CB | CG | 65.9° | 60.0° |
N | CA | CB | HB2 | 168.9° | 60.1° |
N | CA | CB | HB3 | 59.4° | 179.9° |
N | CA | C | O | 135.2° | 30.0° |
N | CA | C | NXT | 45.4° | 150.0° |
H | N | CA | CB | 148.5° | 60.0° |
H | N | CA | C | 88.5° | 60.0° |
H | N | CA | HA | 30.5° | 180.0° |
H2 | N | CA | CB | 39.1° | 53.8° |
H2 | N | CA | C | 162.0° | 173.8° |
H2 | N | CA | HA | 78.9° | 66.2° |
CB | CA | C | HA | 117.5° | 119.9° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | CG | HB3 | 125.3° | 120.0° |
CA | CB | HB2 | HB3 | 116.5° | 120.0° |
CA | CB | CG | ND1 | 46.8° | 90.0° |
CA | CB | CG | CD2 | 133.2° | 90.4° |
CB | CA | C | O | 101.4° | 90.0° |
CB | CA | C | NXT | 78.0° | 90.0° |
C | CA | CB | CG | 169.6° | 180.0° |
C | CA | CB | HB2 | 44.3° | 60.0° |
C | CA | CB | HB3 | 65.1° | 60.0° |
CA | C | O | NXT | 179.4° | 180.0° |
CA | C | NXT | HXT1 | 180.0° | 180.0° |
CA | C | NXT | HXT2 | 0.6° | 0.0° |
HA | CA | CB | CG | 52.1° | 60.0° |
HA | CA | CB | HB2 | 73.1° | 179.9° |
HA | CA | CB | HB3 | 177.4° | 59.9° |
HA | CA | C | O | 16.1° | 150.0° |
HA | CA | C | NXT | 164.5° | 30.0° |
CG | CB | HB2 | HB3 | 116.5° | 120.0° |
CB | CG | ND1 | CD2 | 180.0° | 179.6° |
CB | CG | ND1 | CE1 | 180.0° | 179.9° |
CB | CG | ND1 | HD1 | 0.1° | 0.0° |
CB | CG | CD2 | NE2 | 180.0° | 179.9° |
CB | CG | CD2 | HD2 | 0.0° | 0.4° |
HB2 | CB | CG | ND1 | 172.1° | 30.0° |
HB2 | CB | CG | CD2 | 8.0° | 149.6° |
HB3 | CB | CG | ND1 | 78.5° | 150.0° |
HB3 | CB | CG | CD2 | 101.5° | 29.6° |
CG | ND1 | CE1 | HD1 | 180.0° | 179.9° |
ND1 | CG | CD2 | NE2 | 0.1° | 0.5° |
ND1 | CG | CD2 | HD2 | 179.9° | 179.9° |
CG | ND1 | CE1 | NE2 | 0.1° | 0.0° |
CG | ND1 | CE1 | HE1 | 180.0° | 179.9° |
CD2 | CG | ND1 | CE1 | 0.1° | 0.3° |
CD2 | CG | ND1 | HD1 | 179.9° | 179.7° |
CG | CD2 | NE2 | HD2 | 180.0° | 179.5° |
CG | CD2 | NE2 | CE1 | 0.0° | 0.5° |
ND1 | CE1 | NE2 | CD2 | 0.0° | 0.3° |
ND1 | CE1 | NE2 | HE1 | 180.0° | 179.9° |
HD1 | ND1 | CE1 | NE2 | 179.9° | 180.0° |
HD1 | ND1 | CE1 | HE1 | 0.0° | 0.1° |
CD2 | NE2 | CE1 | HE1 | 180.0° | 179.8° |
HD2 | CD2 | NE2 | CE1 | 180.0° | 180.0° |
O | C | NXT | HXT1 | 0.7° | 0.0° |
O | C | NXT | HXT2 | 180.0° | 180.0° |
C | NXT | HXT1 | HXT2 | 179.4° | 180.0° |