HLG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAC | doub | 1.21Å | 1.22Å | |
CAC | CAB | sing | 1.51Å | 1.50Å | |
CAC | NAD | sing | 1.35Å | 1.33Å | |
NAD | CAE | sing | 1.47Å | 1.44Å | |
CAE | CAF | sing | 1.53Å | 1.53Å | |
CAF | CAG | sing | 1.53Å | 1.50Å | |
CAG | NAH | sing | 1.47Å | 1.45Å | |
NAH | CAI | sing | 1.47Å | 1.45Å | |
CAI | CAJ | sing | 1.53Å | 1.54Å | |
CAJ | CAK | sing | 1.53Å | 1.51Å | |
CAK | CAL | sing | 1.53Å | 1.54Å | |
CAL | NAM | sing | 1.47Å | 1.45Å | |
CAB | H1 | sing | 1.09Å | 1.10Å | |
CAB | H2 | sing | 1.09Å | 1.10Å | |
CAB | H3 | sing | 1.09Å | 1.10Å | |
NAD | H4 | sing | 0.97Å | 1.00Å | |
CAE | H5 | sing | 1.09Å | 1.10Å | |
CAE | H6 | sing | 1.09Å | 1.10Å | |
CAF | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.09Å | 1.10Å | |
CAG | H9 | sing | 1.09Å | 1.10Å | |
CAG | H10 | sing | 1.09Å | 1.10Å | |
NAH | H11 | sing | 1.01Å | 1.00Å | |
CAI | H13 | sing | 1.09Å | 1.10Å | |
CAI | H14 | sing | 1.09Å | 1.10Å | |
CAJ | H15 | sing | 1.09Å | 1.10Å | |
CAJ | H16 | sing | 1.09Å | 1.10Å | |
CAK | H17 | sing | 1.09Å | 1.10Å | |
CAK | H18 | sing | 1.09Å | 1.10Å | |
CAL | H19 | sing | 1.09Å | 1.10Å | |
CAL | H20 | sing | 1.09Å | 1.10Å | |
NAM | H21 | sing | 1.01Å | 1.00Å | |
NAM | H22 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAC | CAB | 120.8° | 120.0° |
OAA | CAC | NAD | 123.0° | 120.0° |
CAB | CAC | NAD | 116.1° | 120.0° |
CAC | CAB | H1 | 109.5° | 109.5° |
CAC | CAB | H2 | 109.5° | 109.4° |
CAC | CAB | H3 | 109.4° | 109.4° |
CAC | NAD | CAE | 124.7° | 120.0° |
CAC | NAD | H4 | 117.6° | 120.0° |
NAD | CAE | CAF | 111.6° | 109.4° |
CAE | NAD | H4 | 117.6° | 120.0° |
NAD | CAE | H5 | 108.9° | 109.4° |
NAD | CAE | H6 | 108.9° | 109.5° |
CAE | CAF | CAG | 112.5° | 109.5° |
CAF | CAE | H5 | 108.9° | 109.5° |
CAF | CAE | H6 | 108.9° | 109.5° |
CAE | CAF | H7 | 108.7° | 109.5° |
CAE | CAF | H8 | 108.7° | 109.5° |
CAF | CAG | NAH | 113.8° | 109.5° |
CAG | CAF | H7 | 108.7° | 109.5° |
CAG | CAF | H8 | 108.7° | 109.4° |
CAF | CAG | H9 | 108.4° | 109.5° |
CAF | CAG | H10 | 108.4° | 109.4° |
CAG | NAH | CAI | 116.3° | 111.0° |
NAH | CAG | H9 | 108.4° | 109.5° |
NAH | CAG | H10 | 108.4° | 109.5° |
CAG | NAH | H11 | 107.7° | 111.1° |
NAH | CAI | CAJ | 112.9° | 109.5° |
CAI | NAH | H11 | 107.7° | 111.0° |
NAH | CAI | H13 | 108.6° | 109.5° |
NAH | CAI | H14 | 108.6° | 109.5° |
CAI | CAJ | CAK | 114.6° | 109.5° |
CAJ | CAI | H13 | 108.6° | 109.5° |
CAJ | CAI | H14 | 108.6° | 109.5° |
CAI | CAJ | H15 | 108.2° | 109.5° |
CAI | CAJ | H16 | 108.2° | 109.5° |
CAJ | CAK | CAL | 109.7° | 109.5° |
CAK | CAJ | H15 | 108.2° | 109.5° |
CAK | CAJ | H16 | 108.2° | 109.5° |
CAJ | CAK | H17 | 109.4° | 109.4° |
CAJ | CAK | H18 | 109.4° | 109.4° |
CAK | CAL | NAM | 112.3° | 109.5° |
CAL | CAK | H17 | 109.4° | 109.5° |
CAL | CAK | H18 | 109.4° | 109.5° |
CAK | CAL | H19 | 108.7° | 109.5° |
CAK | CAL | H20 | 108.8° | 109.5° |
NAM | CAL | H19 | 108.8° | 109.5° |
NAM | CAL | H20 | 108.7° | 109.5° |
CAL | NAM | H21 | 109.5° | 111.0° |
CAL | NAM | H22 | 109.5° | 110.9° |
H1 | CAB | H2 | 109.5° | 109.5° |
H1 | CAB | H3 | 109.5° | 109.5° |
H2 | CAB | H3 | 109.5° | 109.5° |
H5 | CAE | H6 | 109.5° | 109.5° |
H7 | CAF | H8 | 109.5° | 109.5° |
H9 | CAG | H10 | 109.4° | 109.4° |
H13 | CAI | H14 | 109.5° | 109.4° |
H15 | CAJ | H16 | 109.5° | 109.5° |
H17 | CAK | H18 | 109.5° | 109.5° |
H19 | CAL | H20 | 109.5° | 109.5° |
H21 | NAM | H22 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAC | CAB | NAD | 176.4° | 180.0° |
OAA | CAC | NAD | CAE | 2.1° | 0.0° |
OAA | CAC | CAB | H1 | 0.0° | 90.0° |
OAA | CAC | CAB | H2 | 120.0° | 30.0° |
OAA | CAC | CAB | H3 | 120.0° | 150.0° |
OAA | CAC | NAD | H4 | 177.9° | 180.0° |
CAB | CAC | NAD | CAE | 174.1° | 180.0° |
CAC | CAB | H1 | H2 | 120.0° | 119.9° |
CAC | CAB | H1 | H3 | 120.0° | 120.0° |
CAC | CAB | H2 | H3 | 120.0° | 120.0° |
CAB | CAC | NAD | H4 | 5.9° | 0.0° |
CAC | NAD | CAE | H4 | 180.0° | 180.0° |
CAC | NAD | CAE | CAF | 127.7° | 180.0° |
NAD | CAC | CAB | H1 | 176.3° | 90.0° |
NAD | CAC | CAB | H2 | 56.3° | 150.0° |
NAD | CAC | CAB | H3 | 63.6° | 30.0° |
CAC | NAD | CAE | H5 | 7.4° | 60.0° |
CAC | NAD | CAE | H6 | 111.9° | 60.0° |
NAD | CAE | CAF | H5 | 120.3° | 120.0° |
NAD | CAE | CAF | H6 | 120.3° | 120.0° |
NAD | CAE | CAF | CAG | 172.5° | 180.0° |
NAD | CAE | H5 | H6 | 119.0° | 120.0° |
NAD | CAE | CAF | H7 | 67.0° | 60.0° |
NAD | CAE | CAF | H8 | 52.1° | 60.0° |
CAE | CAF | CAG | H7 | 120.5° | 120.1° |
CAE | CAF | CAG | H8 | 120.4° | 119.9° |
CAE | CAF | CAG | NAH | 173.0° | 180.0° |
CAF | CAE | NAD | H4 | 52.3° | 0.0° |
CAF | CAE | H5 | H6 | 119.0° | 120.0° |
CAE | CAF | H7 | H8 | 118.6° | 120.0° |
CAE | CAF | CAG | H9 | 52.3° | 60.0° |
CAE | CAF | CAG | H10 | 66.3° | 60.0° |
CAF | CAG | NAH | H9 | 120.7° | 120.1° |
CAF | CAG | NAH | H10 | 120.6° | 120.0° |
CAF | CAG | NAH | CAI | 176.2° | 180.0° |
CAG | CAF | CAE | H5 | 52.2° | 60.0° |
CAG | CAF | CAE | H6 | 67.1° | 60.0° |
CAG | CAF | H7 | H8 | 118.6° | 119.9° |
CAF | CAG | H9 | H10 | 118.0° | 120.0° |
CAF | CAG | NAH | H11 | 55.2° | 56.0° |
CAG | NAH | CAI | H11 | 121.0° | 124.0° |
CAG | NAH | CAI | CAJ | 172.5° | 180.0° |
NAH | CAG | CAF | H7 | 66.5° | 59.9° |
NAH | CAG | CAF | H8 | 52.6° | 60.1° |
NAH | CAG | H9 | H10 | 118.0° | 120.0° |
CAG | NAH | CAI | H13 | 52.0° | 60.0° |
CAG | NAH | CAI | H14 | 67.0° | 60.0° |
NAH | CAI | CAJ | H13 | 120.5° | 120.0° |
NAH | CAI | CAJ | H14 | 120.5° | 120.0° |
NAH | CAI | CAJ | CAK | 74.4° | 180.0° |
CAI | NAH | CAG | H9 | 63.1° | 60.0° |
CAI | NAH | CAG | H10 | 55.6° | 60.0° |
NAH | CAI | H13 | H14 | 118.4° | 120.0° |
NAH | CAI | CAJ | H15 | 46.4° | 60.0° |
NAH | CAI | CAJ | H16 | 164.9° | 60.0° |
CAI | CAJ | CAK | H15 | 120.8° | 120.0° |
CAI | CAJ | CAK | H16 | 120.8° | 120.0° |
CAI | CAJ | CAK | CAL | 170.8° | 180.0° |
CAJ | CAI | NAH | H11 | 66.5° | 56.0° |
CAJ | CAI | H13 | H14 | 118.5° | 120.0° |
CAI | CAJ | H15 | H16 | 117.7° | 120.0° |
CAI | CAJ | CAK | H17 | 50.8° | 60.0° |
CAI | CAJ | CAK | H18 | 69.2° | 60.0° |
CAJ | CAK | CAL | H17 | 120.0° | 120.0° |
CAJ | CAK | CAL | H18 | 120.0° | 120.0° |
CAJ | CAK | CAL | NAM | 142.8° | 180.0° |
CAK | CAJ | CAI | H13 | 165.1° | 60.0° |
CAK | CAJ | CAI | H14 | 46.1° | 60.0° |
CAK | CAJ | H15 | H16 | 117.7° | 120.0° |
CAJ | CAK | H17 | H18 | 119.9° | 119.9° |
CAJ | CAK | CAL | H19 | 22.4° | 60.0° |
CAJ | CAK | CAL | H20 | 96.8° | 60.0° |
CAK | CAL | NAM | H19 | 120.4° | 120.0° |
CAK | CAL | NAM | H20 | 120.4° | 120.0° |
CAL | CAK | CAJ | H15 | 68.4° | 60.0° |
CAL | CAK | CAJ | H16 | 50.1° | 60.0° |
CAL | CAK | H17 | H18 | 119.9° | 120.1° |
CAK | CAL | H19 | H20 | 118.7° | 120.0° |
CAK | CAL | NAM | H21 | 180.0° | 180.0° |
CAK | CAL | NAM | H22 | 60.0° | 56.1° |
NAM | CAL | CAK | H17 | 97.2° | 60.0° |
NAM | CAL | CAK | H18 | 22.8° | 60.0° |
NAM | CAL | H19 | H20 | 118.7° | 120.0° |
CAL | NAM | H21 | H22 | 120.0° | 123.9° |
H1 | CAB | H2 | H3 | 120.0° | 120.1° |
H4 | NAD | CAE | H5 | 172.6° | 120.0° |
H4 | NAD | CAE | H6 | 68.1° | 120.0° |
H5 | CAE | CAF | H7 | 172.7° | 180.0° |
H5 | CAE | CAF | H8 | 68.2° | 60.0° |
H6 | CAE | CAF | H7 | 53.3° | 60.0° |
H6 | CAE | CAF | H8 | 172.4° | 180.0° |
H7 | CAF | CAG | H9 | 172.8° | 180.0° |
H7 | CAF | CAG | H10 | 54.1° | 60.0° |
H8 | CAF | CAG | H9 | 68.1° | 60.0° |
H8 | CAF | CAG | H10 | 173.2° | 180.0° |
H9 | CAG | NAH | H11 | 175.9° | 176.1° |
H10 | CAG | NAH | H11 | 65.4° | 64.0° |
H11 | NAH | CAI | H13 | 173.0° | 176.0° |
H11 | NAH | CAI | H14 | 54.0° | 64.0° |
H13 | CAI | CAJ | H15 | 74.2° | 180.0° |
H13 | CAI | CAJ | H16 | 44.3° | 60.0° |
H14 | CAI | CAJ | H15 | 166.9° | 60.0° |
H14 | CAI | CAJ | H16 | 74.6° | 180.0° |
H15 | CAJ | CAK | H17 | 171.5° | 180.0° |
H15 | CAJ | CAK | H18 | 51.6° | 60.0° |
H16 | CAJ | CAK | H17 | 70.0° | 60.0° |
H16 | CAJ | CAK | H18 | 170.1° | 180.0° |
H17 | CAK | CAL | H19 | 142.4° | 179.9° |
H17 | CAK | CAL | H20 | 23.3° | 60.0° |
H18 | CAK | CAL | H19 | 97.6° | 60.0° |
H18 | CAK | CAL | H20 | 143.2° | 180.0° |
H19 | CAL | NAM | H21 | 59.6° | 60.0° |
H19 | CAL | NAM | H22 | 179.6° | 176.1° |
H20 | CAL | NAM | H21 | 59.6° | 60.0° |
H20 | CAL | NAM | H22 | 60.4° | 63.9° |