V87
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAC | doub | 1.21Å | 1.19Å | |
CAG | CAH | sing | 1.53Å | 1.53Å | |
CAG | CAF | sing | 1.53Å | 1.52Å | |
CAC | NAD | sing | 1.35Å | 1.46Å | |
CAI | CAH | sing | 1.53Å | 1.52Å | |
CAI | CAJ | sing | 1.51Å | 1.52Å | |
NAD | CAF | sing | 1.46Å | 1.46Å | |
CAO | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
CAJ | CAK | sing | 1.38Å | 1.38Å | Aromatic |
CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
CAM | CAL | sing | 1.38Å | 1.39Å | Aromatic |
CAC | H1 | sing | 1.08Å | 1.08Å | |
NAD | H2 | sing | 0.97Å | 1.00Å | |
CAF | H3 | sing | 1.09Å | 1.10Å | |
CAF | H4 | sing | 1.09Å | 1.10Å | |
CAG | H5 | sing | 1.09Å | 1.10Å | |
CAG | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAH | H8 | sing | 1.09Å | 1.10Å | |
CAI | H9 | sing | 1.09Å | 1.10Å | |
CAI | H10 | sing | 1.09Å | 1.10Å | |
CAK | H11 | sing | 1.08Å | 1.08Å | |
CAL | H12 | sing | 1.08Å | 1.08Å | |
CAM | H13 | sing | 1.08Å | 1.08Å | |
CAN | H14 | sing | 1.08Å | 1.08Å | |
CAO | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAC | NAD | 118.7° | 120.0° |
OAE | CAC | H1 | 120.6° | 120.0° |
CAH | CAG | CAF | 108.4° | 109.5° |
CAG | CAH | CAI | 113.5° | 109.5° |
CAH | CAG | H5 | 109.7° | 109.4° |
CAH | CAG | H6 | 109.8° | 109.5° |
CAG | CAH | H7 | 108.4° | 109.4° |
CAG | CAH | H8 | 108.4° | 109.5° |
CAG | CAF | NAD | 114.3° | 109.5° |
CAG | CAF | H3 | 108.2° | 109.5° |
CAG | CAF | H4 | 108.3° | 109.5° |
CAF | CAG | H5 | 109.8° | 109.5° |
CAF | CAG | H6 | 109.7° | 109.5° |
CAC | NAD | CAF | 124.7° | 120.0° |
NAD | CAC | H1 | 120.6° | 120.0° |
CAC | NAD | H2 | 117.6° | 120.0° |
CAH | CAI | CAJ | 108.2° | 109.4° |
CAI | CAH | H7 | 108.5° | 109.5° |
CAI | CAH | H8 | 108.5° | 109.5° |
CAH | CAI | H9 | 109.8° | 109.4° |
CAH | CAI | H10 | 109.8° | 109.5° |
CAI | CAJ | CAO | 120.1° | 120.0° |
CAI | CAJ | CAK | 119.7° | 120.0° |
CAJ | CAI | H9 | 109.8° | 109.5° |
CAJ | CAI | H10 | 109.8° | 109.5° |
CAF | NAD | H2 | 117.7° | 120.0° |
NAD | CAF | H3 | 108.3° | 109.5° |
NAD | CAF | H4 | 108.3° | 109.5° |
CAJ | CAO | CAN | 120.1° | 120.1° |
CAO | CAJ | CAK | 120.2° | 120.0° |
CAJ | CAO | H15 | 120.0° | 120.0° |
CAO | CAN | CAM | 119.9° | 119.9° |
CAO | CAN | H14 | 120.0° | 120.0° |
CAN | CAO | H15 | 120.0° | 120.0° |
CAJ | CAK | CAL | 119.7° | 120.0° |
CAJ | CAK | H11 | 120.1° | 120.0° |
CAN | CAM | CAL | 119.6° | 120.1° |
CAN | CAM | H13 | 120.2° | 119.9° |
CAM | CAN | H14 | 120.1° | 120.1° |
CAK | CAL | CAM | 120.5° | 120.0° |
CAL | CAK | H11 | 120.2° | 120.0° |
CAK | CAL | H12 | 119.8° | 120.0° |
CAM | CAL | H12 | 119.7° | 120.0° |
CAL | CAM | H13 | 120.2° | 120.0° |
H3 | CAF | H4 | 109.5° | 109.4° |
H5 | CAG | H6 | 109.4° | 109.5° |
H7 | CAH | H8 | 109.5° | 109.4° |
H9 | CAI | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | CAC | NAD | H1 | 180.0° | 179.6° |
OAE | CAC | NAD | CAF | 0.6° | 0.3° |
OAE | CAC | NAD | H2 | 179.4° | 179.7° |
CAH | CAG | CAF | H5 | 119.8° | 120.0° |
CAH | CAG | CAF | H6 | 119.9° | 120.0° |
CAG | CAH | CAI | H7 | 120.6° | 120.0° |
CAG | CAH | CAI | H8 | 120.6° | 120.0° |
CAG | CAH | CAI | CAJ | 176.4° | 180.0° |
CAH | CAG | CAF | NAD | 133.0° | 180.0° |
CAH | CAG | CAF | H3 | 106.3° | 60.0° |
CAH | CAG | CAF | H4 | 12.2° | 60.0° |
CAH | CAG | H5 | H6 | 120.5° | 120.0° |
CAG | CAH | H7 | H8 | 118.1° | 120.0° |
CAG | CAH | CAI | H9 | 56.6° | 60.0° |
CAG | CAH | CAI | H10 | 63.8° | 60.0° |
CAG | CAF | NAD | CAC | 38.0° | 180.0° |
CAF | CAG | CAH | CAI | 125.7° | NaN° |
CAG | CAF | NAD | H3 | 120.7° | 120.0° |
CAG | CAF | NAD | H4 | 120.7° | 120.0° |
CAG | CAF | NAD | H2 | 142.1° | 0.0° |
CAG | CAF | H3 | H4 | 117.8° | 120.0° |
CAF | CAG | H5 | H6 | 120.5° | 120.0° |
CAF | CAG | CAH | H7 | 5.1° | 60.0° |
CAF | CAG | CAH | H8 | 113.7° | 60.0° |
CAC | NAD | CAF | H2 | 180.0° | 180.0° |
CAC | NAD | CAF | H3 | 158.7° | 60.0° |
CAC | NAD | CAF | H4 | 82.8° | 59.9° |
CAH | CAI | CAJ | H9 | 119.8° | 119.9° |
CAH | CAI | CAJ | H10 | 119.8° | 120.0° |
CAH | CAI | CAJ | CAO | 73.6° | 90.3° |
CAH | CAI | CAJ | CAK | 106.3° | 90.0° |
CAI | CAH | CAG | H5 | 5.8° | 60.0° |
CAI | CAH | CAG | H6 | 114.4° | 60.0° |
CAI | CAH | H7 | H8 | 118.2° | 120.0° |
CAH | CAI | H9 | H10 | 120.6° | 120.0° |
CAI | CAJ | CAO | CAK | 179.9° | 179.7° |
CAI | CAJ | CAO | CAN | 180.0° | 179.7° |
CAI | CAJ | CAK | CAL | 179.3° | 180.0° |
CAJ | CAI | CAH | H7 | 63.0° | 60.0° |
CAJ | CAI | CAH | H8 | 55.8° | 60.0° |
CAJ | CAI | H9 | H10 | 120.6° | 120.1° |
CAI | CAJ | CAK | H11 | 0.8° | 0.1° |
CAI | CAJ | CAO | H15 | 0.0° | 0.0° |
CAF | NAD | CAC | H1 | 179.4° | 179.9° |
NAD | CAF | H3 | H4 | 117.8° | 120.0° |
NAD | CAF | CAG | H5 | 13.1° | 60.0° |
NAD | CAF | CAG | H6 | 107.2° | 60.0° |
CAJ | CAO | CAN | H15 | 180.0° | 179.7° |
CAJ | CAO | CAN | CAM | 0.4° | 0.6° |
CAO | CAJ | CAK | CAL | 0.6° | 0.3° |
CAO | CAJ | CAI | H9 | 46.2° | 149.8° |
CAO | CAJ | CAI | H10 | 166.6° | 29.7° |
CAO | CAJ | CAK | H11 | 179.4° | 179.7° |
CAJ | CAO | CAN | H14 | 179.6° | 179.7° |
CAN | CAO | CAJ | CAK | 0.1° | 0.6° |
CAO | CAN | CAM | H14 | 180.0° | 179.7° |
CAO | CAN | CAM | CAL | 0.1° | 0.3° |
CAO | CAN | CAM | H13 | 179.9° | 179.7° |
CAJ | CAK | CAL | H11 | 180.0° | 180.0° |
CAJ | CAK | CAL | CAM | 1.1° | 0.0° |
CAK | CAJ | CAI | H9 | 133.9° | 29.9° |
CAK | CAJ | CAI | H10 | 13.5° | 150.0° |
CAJ | CAK | CAL | H12 | 178.9° | 180.0° |
CAK | CAJ | CAO | H15 | 179.9° | 179.7° |
CAN | CAM | CAL | CAK | 0.8° | 0.0° |
CAN | CAM | CAL | H13 | 180.0° | 179.9° |
CAN | CAM | CAL | H12 | 179.2° | 180.0° |
CAM | CAN | CAO | H15 | 179.6° | 179.7° |
CAK | CAL | CAM | H12 | 180.0° | 180.0° |
CAK | CAL | CAM | H13 | 179.1° | 179.9° |
CAM | CAL | CAK | H11 | 178.9° | 180.0° |
CAL | CAM | CAN | H14 | 179.9° | 180.0° |
H1 | CAC | NAD | H2 | 0.5° | 0.1° |
H2 | NAD | CAF | H3 | 21.4° | 120.0° |
H2 | NAD | CAF | H4 | 97.2° | 120.0° |
H3 | CAF | CAG | H5 | 133.8° | 179.9° |
H3 | CAF | CAG | H6 | 13.5° | 60.0° |
H4 | CAF | CAG | H5 | 107.6° | 60.0° |
H4 | CAF | CAG | H6 | 132.1° | 180.0° |
H5 | CAG | CAH | H7 | 114.8° | 180.0° |
H5 | CAG | CAH | H8 | 126.5° | 60.1° |
H6 | CAG | CAH | H7 | 124.9° | 60.0° |
H6 | CAG | CAH | H8 | 6.2° | 180.0° |
H7 | CAH | CAI | H9 | 177.2° | 180.0° |
H7 | CAH | CAI | H10 | 56.8° | 60.0° |
H8 | CAH | CAI | H9 | 64.0° | 60.0° |
H8 | CAH | CAI | H10 | 175.6° | 180.0° |
H11 | CAK | CAL | H12 | 1.1° | 0.0° |
H12 | CAL | CAM | H13 | 0.9° | 0.0° |
H13 | CAM | CAN | H14 | 0.2° | 0.0° |
H14 | CAN | CAO | H15 | 0.4° | 0.0° |