VHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAS | sing | 1.45Å | 1.43Å | |
| OAS | C | sing | 1.34Å | 1.36Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CAK | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| OAC | CAU | doub | 1.22Å | 1.22Å | |
| CAJ | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CA | N | sing | 1.46Å | 1.48Å | |
| N | CAY | sing | 1.37Å | 1.34Å | |
| CAO | CAX | sing | 1.51Å | 1.39Å | |
| CAO | NAQ | sing | 1.46Å | 1.47Å | |
| CAX | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | NAQ | sing | 1.35Å | 1.34Å | |
| CAU | CAZ | sing | 1.47Å | 1.39Å | |
| CAV | FAF | sing | 1.35Å | 1.35Å | |
| CAV | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.40Å | 1.39Å | |
| CAY | CBB | sing | 1.47Å | 1.40Å | |
| CAZ | CBA | sing | 1.42Å | 1.39Å | |
| CAW | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | FAG | sing | 1.35Å | 1.33Å | |
| CAL | CBB | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CBB | CBC | sing | 1.41Å | 1.39Å | Aromatic |
| CBA | OAD | doub | 1.22Å | 1.23Å | |
| CBA | NBD | sing | 1.34Å | 1.35Å | |
| CAH | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CBC | NBD | sing | 1.38Å | 1.34Å | |
| CBC | NAP | doub | 1.33Å | 1.34Å | Aromatic |
| NBD | OAE | sing | 1.42Å | 1.37Å | |
| CAI | NAP | sing | 1.32Å | 1.40Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAJ | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| NAQ | H6 | sing | 0.97Å | 1.00Å | |
| OAE | H7 | sing | 0.97Å | 0.95Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| CA | H12 | sing | 1.09Å | 1.10Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAS | C | 108.6° | 116.9° |
| OAS | CAA | H14 | 109.5° | 109.5° |
| OAS | CAA | H15 | 109.4° | 109.5° |
| OAS | CAA | H16 | 109.5° | 109.5° |
| OAS | C | O | 123.7° | 120.1° |
| OAS | C | CA | 116.0° | 120.0° |
| O | C | CA | 120.3° | 120.0° |
| C | CA | N | 115.0° | 109.5° |
| C | CA | H12 | 108.1° | 109.5° |
| C | CA | H13 | 108.1° | 109.5° |
| CAJ | CAK | CAX | 120.0° | 120.0° |
| CAK | CAJ | CAV | 119.9° | 120.0° |
| CAK | CAJ | H2 | 120.0° | 120.0° |
| CAJ | CAK | H3 | 120.0° | 120.0° |
| CAK | CAX | CAO | 119.3° | 120.0° |
| CAK | CAX | CAW | 119.8° | 120.0° |
| CAX | CAK | H3 | 120.0° | 120.0° |
| OAC | CAU | NAQ | 122.9° | 120.0° |
| OAC | CAU | CAZ | 120.7° | 120.0° |
| CAJ | CAV | FAF | 119.8° | 120.0° |
| CAJ | CAV | CAM | 120.2° | 120.0° |
| CAV | CAJ | H2 | 120.0° | 120.0° |
| CA | N | CAY | 119.4° | 120.0° |
| CA | N | H11 | 106.9° | 120.0° |
| N | CA | H12 | 108.1° | 109.5° |
| N | CA | H13 | 108.1° | 109.5° |
| N | CAY | CAZ | 119.0° | 121.0° |
| N | CAY | CBB | 119.9° | 121.0° |
| CAY | N | H11 | 106.9° | 119.9° |
| CAX | CAO | NAQ | 112.1° | 109.5° |
| CAO | CAX | CAW | 120.8° | 120.0° |
| CAX | CAO | H4 | 108.8° | 109.5° |
| CAX | CAO | H5 | 108.8° | 109.5° |
| CAO | NAQ | CAU | 121.4° | 120.0° |
| NAQ | CAO | H4 | 108.8° | 109.5° |
| NAQ | CAO | H5 | 108.8° | 109.5° |
| CAO | NAQ | H6 | 119.3° | 120.0° |
| CAX | CAW | CAM | 120.2° | 120.0° |
| CAX | CAW | FAG | 120.0° | 120.0° |
| NAQ | CAU | CAZ | 116.3° | 120.0° |
| CAU | NAQ | H6 | 119.3° | 120.0° |
| CAU | CAZ | CAY | 121.3° | 120.3° |
| CAU | CAZ | CBA | 120.7° | 120.3° |
| FAF | CAV | CAM | 120.0° | 119.9° |
| CAV | CAM | CAW | 119.8° | 119.9° |
| CAV | CAM | H1 | 120.1° | 120.1° |
| CAZ | CAY | CBB | 121.0° | 118.0° |
| CAY | CAZ | CBA | 118.0° | 119.4° |
| CAY | CBB | CAL | 122.8° | 121.2° |
| CAY | CBB | CBC | 117.9° | 119.3° |
| CAZ | CBA | OAD | 120.6° | 119.2° |
| CAZ | CBA | NBD | 120.4° | 121.7° |
| CAM | CAW | FAG | 119.8° | 120.0° |
| CAW | CAM | H1 | 120.1° | 120.0° |
| CBB | CAL | CAH | 120.3° | 118.0° |
| CAL | CBB | CBC | 119.3° | 119.5° |
| CBB | CAL | H10 | 119.8° | 121.0° |
| CAL | CAH | CAI | 119.2° | 119.4° |
| CAL | CAH | H9 | 120.4° | 120.3° |
| CAH | CAL | H10 | 119.9° | 121.0° |
| CBB | CBC | NBD | 120.6° | 119.7° |
| CBB | CBC | NAP | 120.6° | 119.8° |
| OAD | CBA | NBD | 119.0° | 119.2° |
| CBA | NBD | CBC | 122.1° | 121.9° |
| CBA | NBD | OAE | 119.2° | 119.0° |
| CAH | CAI | NAP | 119.5° | 121.6° |
| CAH | CAI | H8 | 120.2° | 119.2° |
| CAI | CAH | H9 | 120.4° | 120.3° |
| NBD | CBC | NAP | 118.8° | 120.5° |
| CBC | NBD | OAE | 118.7° | 119.1° |
| CBC | NAP | CAI | 121.0° | 121.8° |
| NBD | OAE | H7 | 109.5° | 114.0° |
| NAP | CAI | H8 | 120.3° | 119.2° |
| H4 | CAO | H5 | 109.5° | 109.4° |
| H12 | CA | H13 | 109.5° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H16 | 109.4° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAS | C | O | 41.6° | 0.0° |
| CAA | OAS | C | CA | 136.1° | 180.0° |
| OAS | CAA | H14 | H15 | 120.0° | 120.0° |
| OAS | CAA | H14 | H16 | 120.0° | 120.0° |
| OAS | CAA | H15 | H16 | 120.0° | 120.0° |
| OAS | C | O | CA | 177.6° | 180.0° |
| OAS | C | CA | N | 38.6° | 180.0° |
| OAS | C | CA | H12 | 82.2° | 60.0° |
| OAS | C | CA | H13 | 159.4° | 60.0° |
| C | OAS | CAA | H14 | 180.0° | 60.0° |
| C | OAS | CAA | H15 | 60.0° | 60.0° |
| C | OAS | CAA | H16 | 60.0° | 180.0° |
| O | C | CA | N | 143.6° | 0.0° |
| O | C | CA | H12 | 95.6° | 120.0° |
| O | C | CA | H13 | 22.8° | 120.0° |
| C | CA | N | H12 | 120.8° | 120.0° |
| C | CA | N | H13 | 120.8° | 120.0° |
| C | CA | N | CAY | 152.2° | 174.4° |
| C | CA | N | H11 | 86.4° | 5.5° |
| C | CA | H12 | H13 | 117.5° | 120.0° |
| CAJ | CAK | CAX | H3 | 180.0° | 179.8° |
| CAK | CAJ | CAV | H2 | 180.0° | 179.9° |
| CAJ | CAK | CAX | CAO | 179.9° | 180.0° |
| CAJ | CAK | CAX | CAW | 0.7° | 0.5° |
| CAK | CAJ | CAV | FAF | 179.9° | 180.0° |
| CAK | CAJ | CAV | CAM | 0.0° | 0.0° |
| CAX | CAK | CAJ | CAV | 0.4° | 0.2° |
| CAK | CAX | CAO | CAW | 179.2° | 179.5° |
| CAK | CAX | CAO | NAQ | 129.5° | 105.0° |
| CAK | CAX | CAW | CAM | 0.6° | 0.5° |
| CAK | CAX | CAW | FAG | 179.7° | 179.7° |
| CAX | CAK | CAJ | H2 | 179.6° | 179.7° |
| CAK | CAX | CAO | H4 | 9.2° | 135.0° |
| CAK | CAX | CAO | H5 | 110.1° | 15.1° |
| OAC | CAU | NAQ | CAO | 1.5° | 5.0° |
| OAC | CAU | NAQ | CAZ | 176.6° | 179.9° |
| OAC | CAU | CAZ | CAY | 5.5° | 94.7° |
| OAC | CAU | CAZ | CBA | 172.9° | 85.7° |
| OAC | CAU | NAQ | H6 | 178.5° | 174.9° |
| CAJ | CAV | FAF | CAM | 179.9° | 180.0° |
| CAJ | CAV | CAM | CAW | 0.1° | 0.1° |
| CAJ | CAV | CAM | H1 | 179.9° | 180.0° |
| CAV | CAJ | CAK | H3 | 179.6° | 180.0° |
| CA | N | CAY | H11 | 121.4° | 180.0° |
| CA | N | CAY | CAZ | 105.5° | 6.4° |
| CA | N | CAY | CBB | 72.0° | 173.3° |
| N | CA | H12 | H13 | 117.5° | 120.0° |
| N | CAY | CAZ | CAU | 2.7° | 0.1° |
| N | CAY | CAZ | CBB | 177.5° | 179.7° |
| N | CAY | CAZ | CBA | 178.9° | 179.7° |
| N | CAY | CBB | CAL | 2.2° | 0.0° |
| N | CAY | CBB | CBC | 178.6° | 179.8° |
| CAY | N | CA | H12 | 31.4° | 65.5° |
| CAY | N | CA | H13 | 87.0° | 54.4° |
| CAX | CAO | NAQ | H4 | 120.4° | 120.0° |
| CAX | CAO | NAQ | H5 | 120.4° | 120.0° |
| CAX | CAO | NAQ | CAU | 107.2° | 180.0° |
| CAO | CAX | CAW | CAM | 179.8° | 180.0° |
| CAO | CAX | CAW | FAG | 0.5° | 0.2° |
| CAO | CAX | CAK | H3 | 0.1° | 0.2° |
| CAX | CAO | H4 | H5 | 118.8° | 120.0° |
| CAX | CAO | NAQ | H6 | 72.8° | 0.0° |
| NAQ | CAO | CAX | CAW | 51.2° | 75.5° |
| CAO | NAQ | CAU | H6 | 180.0° | 180.0° |
| CAO | NAQ | CAU | CAZ | 178.1° | 174.9° |
| NAQ | CAO | H4 | H5 | 118.8° | 120.0° |
| CAX | CAW | CAM | CAV | 0.2° | 0.2° |
| CAX | CAW | CAM | FAG | 179.7° | 179.8° |
| CAX | CAW | CAM | H1 | 179.8° | 179.8° |
| CAW | CAX | CAK | H3 | 179.3° | 179.7° |
| CAW | CAX | CAO | H4 | 171.6° | 44.5° |
| CAW | CAX | CAO | H5 | 69.1° | 164.4° |
| NAQ | CAU | CAZ | CAY | 177.8° | 85.4° |
| NAQ | CAU | CAZ | CBA | 3.8° | 94.2° |
| CAU | NAQ | CAO | H4 | 13.2° | 60.0° |
| CAU | NAQ | CAO | H5 | 132.4° | 60.0° |
| CAU | CAZ | CAY | CBA | 178.4° | 179.7° |
| CAU | CAZ | CAY | CBB | 179.8° | 179.8° |
| CAU | CAZ | CBA | OAD | 0.9° | 0.0° |
| CAU | CAZ | CBA | NBD | 179.4° | 180.0° |
| CAZ | CAU | NAQ | H6 | 1.8° | 5.2° |
| FAF | CAV | CAM | CAW | 180.0° | 180.0° |
| FAF | CAV | CAM | H1 | 0.0° | 0.0° |
| FAF | CAV | CAJ | H2 | 0.1° | 0.1° |
| CAV | CAM | CAW | H1 | 180.0° | 180.0° |
| CAV | CAM | CAW | FAG | 179.9° | 180.0° |
| CAM | CAV | CAJ | H2 | 180.0° | 180.0° |
| CAZ | CAY | CBB | CAL | 179.7° | 179.7° |
| CAZ | CAY | CBB | CBC | 1.1° | 0.5° |
| CAY | CAZ | CBA | OAD | 179.3° | 179.7° |
| CAY | CAZ | CBA | NBD | 1.0° | 0.3° |
| CAZ | CAY | N | H11 | 133.0° | 173.6° |
| CBB | CAY | CAZ | CBA | 1.4° | 0.6° |
| CAY | CBB | CAL | CBC | 179.2° | 179.7° |
| CAY | CBB | CAL | CAH | 179.7° | 179.7° |
| CAY | CBB | CBC | NBD | 0.3° | 0.2° |
| CAY | CBB | CBC | NAP | 179.4° | 179.7° |
| CAY | CBB | CAL | H10 | 0.3° | 0.3° |
| CBB | CAY | N | H11 | 49.4° | 6.7° |
| CAZ | CBA | OAD | NBD | 179.7° | 180.0° |
| CAZ | CBA | NBD | CBC | 0.3° | 0.0° |
| CAZ | CBA | NBD | OAE | 179.6° | 180.0° |
| FAG | CAW | CAM | H1 | 0.1° | 0.0° |
| CBB | CAL | CAH | H10 | 180.0° | 180.0° |
| CBB | CAL | CAH | CAI | 0.5° | 0.0° |
| CAL | CBB | CBC | NBD | 179.5° | 180.0° |
| CAL | CBB | CBC | NAP | 0.1° | 0.1° |
| CBB | CAL | CAH | H9 | 179.5° | 180.0° |
| CAH | CAL | CBB | CBC | 0.5° | 0.1° |
| CAL | CAH | CAI | H9 | 180.0° | 179.9° |
| CAL | CAH | CAI | NAP | 0.2° | 0.1° |
| CAL | CAH | CAI | H8 | 179.8° | 180.0° |
| CBB | CBC | NBD | CBA | 0.1° | 0.0° |
| CBB | CBC | NBD | NAP | 179.7° | 179.9° |
| CBB | CBC | NBD | OAE | 180.0° | 180.0° |
| CBB | CBC | NAP | CAI | 0.2° | 0.1° |
| CBC | CBB | CAL | H10 | 179.5° | 180.0° |
| OAD | CBA | NBD | CBC | 179.9° | 180.0° |
| OAD | CBA | NBD | OAE | 0.1° | 0.0° |
| CBA | NBD | CBC | OAE | 179.9° | 180.0° |
| CBA | NBD | CBC | NAP | 179.8° | 179.9° |
| CBA | NBD | OAE | H7 | 0.0° | 0.0° |
| CAH | CAI | NAP | CBC | 0.1° | 0.1° |
| CAH | CAI | NAP | H8 | 180.0° | 180.0° |
| CAI | CAH | CAL | H10 | 179.5° | 180.0° |
| NBD | CBC | NAP | CAI | 179.9° | 180.0° |
| CBC | NBD | OAE | H7 | 179.9° | 180.0° |
| NAP | CBC | NBD | OAE | 0.3° | 0.1° |
| CBC | NAP | CAI | H8 | 179.8° | 179.9° |
| NAP | CAI | CAH | H9 | 179.8° | 180.0° |
| H2 | CAJ | CAK | H3 | 0.4° | 0.1° |
| H4 | CAO | NAQ | H6 | 166.8° | 120.0° |
| H5 | CAO | NAQ | H6 | 47.6° | 120.1° |
| H8 | CAI | CAH | H9 | 0.2° | 0.0° |
| H9 | CAH | CAL | H10 | 0.5° | 0.0° |
| H11 | N | CA | H12 | 152.8° | 114.5° |
| H11 | N | CA | H13 | 34.4° | 125.6° |
| H14 | CAA | H15 | H16 | 120.0° | 120.0° |
