DV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAP | CAL | doub | 1.29Å | 1.33Å | Aromatic |
| NAP | CAW | sing | 1.31Å | 1.34Å | Aromatic |
| CAL | SAS | sing | 1.71Å | 1.67Å | Aromatic |
| CAB | CAW | sing | 1.51Å | 1.53Å | |
| CAW | CAZ | doub | 1.35Å | 1.35Å | Aromatic |
| SAS | CAZ | sing | 1.76Å | 1.68Å | Aromatic |
| CAZ | CAY | sing | 1.48Å | 1.34Å | |
| CAY | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAY | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAM | sing | 1.51Å | 1.41Å | |
| CAM | NAQ | sing | 1.47Å | 1.47Å | |
| NAQ | C | sing | 1.35Å | 1.35Å | |
| CB | CA | sing | 1.54Å | 1.52Å | |
| CB | CG | sing | 1.55Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.40Å | |
| CA | N | sing | 1.47Å | 1.52Å | |
| CG | OD1 | sing | 1.43Å | 1.43Å | |
| CG | CD2 | sing | 1.55Å | 1.51Å | |
| N | CD2 | sing | 1.47Å | 1.49Å | |
| N | CAV | sing | 1.35Å | 1.35Å | |
| SAG | CAV | doub | 1.60Å | 1.65Å | |
| CAV | CBB | sing | 1.51Å | 1.55Å | |
| CAC | CBB | sing | 1.53Å | 1.53Å | |
| CBB | NAR | sing | 1.47Å | 1.47Å | |
| NAR | CAT | sing | 1.35Å | 1.34Å | |
| OAD | CAT | doub | 1.21Å | 1.23Å | |
| CAT | CAA | sing | 1.51Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| NAR | H4 | sing | 0.97Å | 1.00Å | |
| CBB | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CD2 | H9 | sing | 1.09Å | 1.10Å | |
| CD2 | H10 | sing | 1.09Å | 1.10Å | |
| CG | H11 | sing | 1.09Å | 1.10Å | |
| OD1 | H12 | sing | 0.97Å | 0.95Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CA | H15 | sing | 1.09Å | 1.10Å | |
| NAQ | H16 | sing | 0.97Å | 1.00Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAI | H19 | sing | 1.08Å | 1.08Å | |
| CAK | H20 | sing | 1.08Å | 1.08Å | |
| CAH | H21 | sing | 1.08Å | 1.08Å | |
| CAJ | H22 | sing | 1.08Å | 1.08Å | |
| CAL | H23 | sing | 1.08Å | 1.08Å | |
| CAB | H24 | sing | 1.09Å | 1.10Å | |
| CAB | H25 | sing | 1.09Å | 1.10Å | |
| CAB | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | NAP | CAW | 115.2° | 117.3° |
| NAP | CAL | SAS | 107.3° | 110.4° |
| NAP | CAL | H23 | 126.3° | 124.8° |
| NAP | CAW | CAB | 118.3° | 122.9° |
| NAP | CAW | CAZ | 115.2° | 114.2° |
| CAL | SAS | CAZ | 95.6° | 90.3° |
| SAS | CAL | H23 | 126.4° | 124.8° |
| CAB | CAW | CAZ | 126.5° | 122.9° |
| CAW | CAB | H24 | 109.5° | 109.5° |
| CAW | CAB | H25 | 109.5° | 109.5° |
| CAW | CAB | H26 | 109.5° | 109.5° |
| CAW | CAZ | SAS | 106.6° | 107.8° |
| CAW | CAZ | CAY | 128.9° | 126.1° |
| SAS | CAZ | CAY | 124.4° | 126.1° |
| CAZ | CAY | CAK | 122.5° | 120.1° |
| CAZ | CAY | CAJ | 120.1° | 120.2° |
| CAK | CAY | CAJ | 117.4° | 119.7° |
| CAY | CAK | CAI | 121.0° | 119.8° |
| CAY | CAK | H20 | 119.5° | 120.1° |
| CAY | CAJ | CAH | 121.6° | 119.9° |
| CAY | CAJ | H22 | 119.2° | 120.1° |
| CAK | CAI | CAX | 121.7° | 120.2° |
| CAK | CAI | H19 | 119.1° | 119.9° |
| CAI | CAK | H20 | 119.5° | 120.1° |
| CAJ | CAH | CAX | 121.0° | 120.1° |
| CAJ | CAH | H21 | 119.5° | 120.0° |
| CAH | CAJ | H22 | 119.2° | 120.0° |
| CAI | CAX | CAH | 117.3° | 120.3° |
| CAI | CAX | CAM | 118.2° | 119.9° |
| CAX | CAI | H19 | 119.2° | 119.9° |
| CAH | CAX | CAM | 124.5° | 119.8° |
| CAX | CAH | H21 | 119.5° | 119.9° |
| CAX | CAM | NAQ | 110.4° | 109.5° |
| CAX | CAM | H17 | 109.2° | 109.5° |
| CAX | CAM | H18 | 109.3° | 109.5° |
| CAM | NAQ | C | 121.1° | 120.0° |
| CAM | NAQ | H16 | 119.5° | 120.0° |
| NAQ | CAM | H17 | 109.2° | 109.4° |
| NAQ | CAM | H18 | 109.2° | 109.5° |
| NAQ | C | O | 122.7° | 120.0° |
| NAQ | C | CA | 117.7° | 120.0° |
| C | NAQ | H16 | 119.5° | 120.0° |
| CA | CB | CG | 105.6° | 103.0° |
| CB | CA | C | 106.8° | 109.9° |
| CB | CA | N | 105.1° | 107.3° |
| CA | CB | H13 | 110.4° | 110.7° |
| CA | CB | H14 | 110.4° | 110.7° |
| CB | CA | H15 | 110.1° | 109.9° |
| CB | CG | OD1 | 109.0° | 111.0° |
| CB | CG | CD2 | 103.8° | 101.6° |
| CB | CG | H11 | 110.9° | 111.0° |
| CG | CB | H13 | 110.4° | 111.0° |
| CG | CB | H14 | 110.4° | 110.4° |
| O | C | CA | 119.6° | 120.0° |
| C | CA | N | 112.4° | 110.2° |
| C | CA | H15 | 111.9° | 110.0° |
| CA | N | CD2 | 107.9° | 108.7° |
| CA | N | CAV | 126.9° | 125.7° |
| N | CA | H15 | 110.2° | 109.6° |
| OD1 | CG | CD2 | 110.0° | 111.0° |
| OD1 | CG | H11 | 112.1° | 110.9° |
| CG | OD1 | H12 | 109.5° | 113.9° |
| CG | CD2 | N | 105.9° | 104.8° |
| CG | CD2 | H9 | 110.3° | 110.4° |
| CG | CD2 | H10 | 110.3° | 110.4° |
| CD2 | CG | H11 | 110.8° | 111.0° |
| CD2 | N | CAV | 125.2° | 125.7° |
| N | CD2 | H9 | 110.4° | 110.4° |
| N | CD2 | H10 | 110.4° | 110.4° |
| N | CAV | SAG | 122.0° | 120.0° |
| N | CAV | CBB | 120.6° | 120.0° |
| SAG | CAV | CBB | 117.3° | 120.0° |
| CAV | CBB | CAC | 107.7° | 109.5° |
| CAV | CBB | NAR | 112.6° | 109.4° |
| CAV | CBB | H5 | 108.9° | 109.5° |
| CAC | CBB | NAR | 108.6° | 109.5° |
| CAC | CBB | H5 | 109.1° | 109.5° |
| CBB | CAC | H6 | 109.5° | 109.5° |
| CBB | CAC | H7 | 109.5° | 109.5° |
| CBB | CAC | H8 | 109.5° | 109.5° |
| CBB | NAR | CAT | 121.6° | 120.0° |
| CBB | NAR | H4 | 119.2° | 120.0° |
| NAR | CBB | H5 | 109.9° | 109.4° |
| NAR | CAT | OAD | 124.6° | 120.0° |
| NAR | CAT | CAA | 114.7° | 120.0° |
| CAT | NAR | H4 | 119.2° | 120.0° |
| OAD | CAT | CAA | 120.7° | 120.0° |
| CAT | CAA | H1 | 109.5° | 109.5° |
| CAT | CAA | H2 | 109.5° | 109.4° |
| CAT | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H6 | CAC | H7 | 109.5° | 109.5° |
| H6 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H9 | CD2 | H10 | 109.5° | 110.3° |
| H13 | CB | H14 | 109.5° | 110.8° |
| H17 | CAM | H18 | 109.4° | 109.4° |
| H24 | CAB | H25 | 109.4° | 109.5° |
| H24 | CAB | H26 | 109.5° | 109.5° |
| H25 | CAB | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAP | CAL | SAS | H23 | 180.0° | 179.9° |
| CAL | NAP | CAW | CAB | 179.9° | 180.0° |
| CAL | NAP | CAW | CAZ | 0.5° | 0.6° |
| NAP | CAL | SAS | CAZ | 0.4° | 0.0° |
| CAW | NAP | CAL | SAS | 0.0° | 0.4° |
| NAP | CAW | CAB | CAZ | 179.5° | 179.4° |
| NAP | CAW | CAZ | SAS | 0.7° | 0.5° |
| NAP | CAW | CAZ | CAY | 179.4° | 179.8° |
| CAW | NAP | CAL | H23 | 180.0° | 179.8° |
| NAP | CAW | CAB | H24 | 0.0° | 95.3° |
| NAP | CAW | CAB | H25 | 120.0° | 144.7° |
| NAP | CAW | CAB | H26 | 120.0° | 24.7° |
| CAL | SAS | CAZ | CAW | 0.6° | 0.3° |
| CAL | SAS | CAZ | CAY | 179.4° | 180.0° |
| CAB | CAW | CAZ | SAS | 179.7° | 179.9° |
| CAB | CAW | CAZ | CAY | 1.0° | 0.3° |
| CAW | CAB | H24 | H25 | 120.0° | 120.0° |
| CAW | CAB | H24 | H26 | 120.0° | 120.0° |
| CAW | CAB | H25 | H26 | 120.0° | 120.0° |
| CAW | CAZ | SAS | CAY | 178.8° | 179.7° |
| CAW | CAZ | CAY | CAK | 44.1° | 132.5° |
| CAW | CAZ | CAY | CAJ | 136.5° | 47.8° |
| CAZ | CAW | CAB | H24 | 179.5° | 85.3° |
| CAZ | CAW | CAB | H25 | 59.5° | 34.7° |
| CAZ | CAW | CAB | H26 | 60.5° | 154.7° |
| SAS | CAZ | CAY | CAK | 137.4° | 47.9° |
| SAS | CAZ | CAY | CAJ | 41.9° | 131.9° |
| CAZ | SAS | CAL | H23 | 179.6° | 179.9° |
| CAZ | CAY | CAK | CAJ | 179.4° | 179.8° |
| CAZ | CAY | CAK | CAI | 179.6° | 180.0° |
| CAZ | CAY | CAJ | CAH | 179.6° | 179.9° |
| CAZ | CAY | CAK | H20 | 0.4° | 0.0° |
| CAZ | CAY | CAJ | H22 | 0.4° | 0.0° |
| CAY | CAK | CAI | H20 | 180.0° | 180.0° |
| CAK | CAY | CAJ | CAH | 1.0° | 0.3° |
| CAY | CAK | CAI | CAX | 0.9° | 0.1° |
| CAY | CAK | CAI | H19 | 179.1° | 180.0° |
| CAK | CAY | CAJ | H22 | 179.0° | 179.8° |
| CAJ | CAY | CAK | CAI | 1.1° | 0.2° |
| CAY | CAJ | CAH | H22 | 180.0° | 179.9° |
| CAY | CAJ | CAH | CAX | 0.8° | 0.0° |
| CAJ | CAY | CAK | H20 | 179.0° | 179.8° |
| CAY | CAJ | CAH | H21 | 179.2° | 179.9° |
| CAK | CAI | CAX | H19 | 180.0° | 179.9° |
| CAK | CAI | CAX | CAH | 0.6° | 0.3° |
| CAK | CAI | CAX | CAM | 179.7° | 180.0° |
| CAJ | CAH | CAX | CAI | 0.5° | 0.3° |
| CAJ | CAH | CAX | H21 | 180.0° | 180.0° |
| CAJ | CAH | CAX | CAM | 179.8° | 180.0° |
| CAI | CAX | CAH | CAM | 179.7° | 179.7° |
| CAI | CAX | CAM | NAQ | 162.1° | 90.0° |
| CAI | CAX | CAM | H17 | 77.7° | 30.0° |
| CAI | CAX | CAM | H18 | 42.0° | 150.0° |
| CAX | CAI | CAK | H20 | 179.1° | 179.9° |
| CAI | CAX | CAH | H21 | 179.5° | 179.8° |
| CAH | CAX | CAM | NAQ | 18.2° | 90.3° |
| CAH | CAX | CAM | H17 | 102.0° | 149.7° |
| CAH | CAX | CAM | H18 | 138.3° | 29.8° |
| CAH | CAX | CAI | H19 | 179.4° | 179.8° |
| CAX | CAH | CAJ | H22 | 179.2° | 180.0° |
| CAX | CAM | NAQ | H17 | 120.2° | 120.0° |
| CAX | CAM | NAQ | H18 | 120.2° | 120.1° |
| CAX | CAM | NAQ | C | 91.9° | 180.0° |
| CAX | CAM | NAQ | H16 | 88.1° | 0.1° |
| CAX | CAM | H17 | H18 | 119.6° | 120.0° |
| CAM | CAX | CAI | H19 | 0.3° | 0.1° |
| CAM | CAX | CAH | H21 | 0.2° | 0.1° |
| CAM | NAQ | C | H16 | 180.0° | 180.0° |
| CAM | NAQ | C | O | 0.2° | 0.0° |
| CAM | NAQ | C | CA | 178.3° | 180.0° |
| NAQ | CAM | H17 | H18 | 119.6° | 120.0° |
| NAQ | C | CA | CB | 89.9° | 61.5° |
| NAQ | C | O | CA | 178.4° | 180.0° |
| NAQ | C | CA | N | 155.3° | 179.4° |
| NAQ | C | CA | H15 | 30.6° | 59.7° |
| C | NAQ | CAM | H17 | 147.9° | 60.0° |
| C | NAQ | CAM | H18 | 28.3° | 60.0° |
| CA | CB | CG | H13 | 119.4° | 118.5° |
| CA | CB | CG | H14 | 119.4° | 118.3° |
| CB | CA | C | O | 88.6° | 118.6° |
| CB | CA | C | N | 114.8° | 118.0° |
| CB | CA | C | H15 | 120.5° | 121.1° |
| CB | CA | N | H15 | 118.6° | 119.3° |
| CA | CB | CG | OD1 | 83.4° | 82.8° |
| CA | CB | CG | CD2 | 33.8° | 35.3° |
| CB | CA | N | CD2 | 2.9° | 1.4° |
| CB | CA | N | CAV | 178.8° | 178.9° |
| CA | CB | CG | H11 | 152.8° | 153.4° |
| CA | CB | H13 | H14 | 121.8° | 123.3° |
| CG | CB | CA | C | 142.5° | 141.6° |
| CG | CB | CA | N | 22.8° | 21.9° |
| CB | CG | OD1 | CD2 | 113.2° | 112.3° |
| CB | CG | OD1 | H11 | 123.1° | 123.9° |
| CB | CG | CD2 | H11 | 119.0° | 118.1° |
| CB | CG | CD2 | N | 32.0° | 37.0° |
| CB | CG | CD2 | H9 | 87.5° | 155.9° |
| CB | CG | CD2 | H10 | 151.4° | 81.8° |
| CB | CG | OD1 | H12 | 180.0° | 173.6° |
| CG | CB | H13 | H14 | 121.8° | 123.0° |
| CG | CB | CA | H15 | 95.8° | 97.2° |
| O | C | CA | N | 26.2° | 0.6° |
| O | C | CA | H15 | 150.9° | 120.3° |
| O | C | NAQ | H16 | 179.8° | 180.0° |
| C | CA | N | H15 | 125.6° | 121.1° |
| C | CA | N | CD2 | 118.8° | 118.2° |
| C | CA | N | CAV | 63.0° | 61.5° |
| C | CA | CB | H13 | 23.1° | 99.7° |
| C | CA | CB | H14 | 98.1° | 23.6° |
| CA | C | NAQ | H16 | 1.7° | 0.0° |
| CA | N | CD2 | CG | 18.0° | 24.3° |
| CA | N | CD2 | CAV | 178.3° | 179.7° |
| CA | N | CAV | SAG | 1.0° | 0.3° |
| CA | N | CAV | CBB | 176.6° | 179.7° |
| CA | N | CD2 | H9 | 101.4° | 143.2° |
| CA | N | CD2 | H10 | 137.5° | 94.6° |
| N | CA | CB | H13 | 96.6° | 140.5° |
| N | CA | CB | H14 | 142.2° | 96.2° |
| OD1 | CG | CD2 | H11 | 124.5° | 123.8° |
| OD1 | CG | CD2 | N | 84.5° | 81.1° |
| OD1 | CG | CD2 | H9 | 156.0° | 37.8° |
| OD1 | CG | CD2 | H10 | 35.0° | 160.1° |
| OD1 | CG | CB | H13 | 157.2° | 35.7° |
| OD1 | CG | CB | H14 | 36.0° | 158.9° |
| CG | CD2 | N | H9 | 119.4° | 118.9° |
| CG | CD2 | N | H10 | 119.4° | 118.9° |
| CG | CD2 | N | CAV | 160.2° | 155.9° |
| CG | CD2 | H9 | H10 | 121.6° | 122.4° |
| CD2 | CG | OD1 | H12 | 66.9° | 61.4° |
| CD2 | CG | CB | H13 | 85.6° | 153.8° |
| CD2 | CG | CB | H14 | 153.2° | 82.9° |
| CD2 | N | CAV | SAG | 178.9° | 180.0° |
| CD2 | N | CAV | CBB | 5.4° | 0.0° |
| N | CD2 | H9 | H10 | 121.7° | 122.2° |
| N | CD2 | CG | H11 | 151.0° | 155.1° |
| CD2 | N | CA | H15 | 115.7° | 120.7° |
| N | CAV | SAG | CBB | 175.8° | 180.0° |
| N | CAV | CBB | CAC | 89.1° | 60.0° |
| N | CAV | CBB | NAR | 151.2° | 180.0° |
| N | CAV | CBB | H5 | 29.0° | 60.0° |
| CAV | N | CD2 | H9 | 80.3° | 37.1° |
| CAV | N | CD2 | H10 | 40.8° | 85.1° |
| CAV | N | CA | H15 | 62.6° | 59.6° |
| SAG | CAV | CBB | CAC | 86.8° | 120.0° |
| SAG | CAV | CBB | NAR | 32.9° | 0.0° |
| SAG | CAV | CBB | H5 | 155.1° | 119.9° |
| CAV | CBB | CAC | NAR | 122.2° | 120.0° |
| CAV | CBB | CAC | H5 | 118.0° | 120.1° |
| CAV | CBB | NAR | H5 | 121.6° | 120.0° |
| CAV | CBB | NAR | CAT | 75.7° | 155.0° |
| CAV | CBB | NAR | H4 | 104.3° | 25.0° |
| CAV | CBB | CAC | H6 | 180.0° | 60.0° |
| CAV | CBB | CAC | H7 | 60.0° | 60.0° |
| CAV | CBB | CAC | H8 | 60.0° | 179.9° |
| CAC | CBB | NAR | H5 | 119.3° | 120.0° |
| CAC | CBB | NAR | CAT | 165.1° | 85.0° |
| CAC | CBB | NAR | H4 | 14.8° | 95.0° |
| CBB | CAC | H6 | H7 | 120.0° | 120.0° |
| CBB | CAC | H6 | H8 | 120.0° | 120.0° |
| CBB | CAC | H7 | H8 | 120.0° | 120.0° |
| CBB | NAR | CAT | H4 | 180.0° | 180.0° |
| CBB | NAR | CAT | OAD | 1.1° | 0.1° |
| CBB | NAR | CAT | CAA | 179.9° | 180.0° |
| NAR | CBB | CAC | H6 | 57.8° | 60.0° |
| NAR | CBB | CAC | H7 | 62.2° | 180.0° |
| NAR | CBB | CAC | H8 | 177.8° | 60.0° |
| NAR | CAT | OAD | CAA | 178.7° | 179.9° |
| NAR | CAT | CAA | H1 | 178.9° | 90.0° |
| NAR | CAT | CAA | H2 | 58.8° | 30.1° |
| NAR | CAT | CAA | H3 | 61.1° | 150.0° |
| CAT | NAR | CBB | H5 | 45.9° | 35.0° |
| OAD | CAT | CAA | H1 | 0.0° | 90.0° |
| OAD | CAT | CAA | H2 | 120.0° | 150.0° |
| OAD | CAT | CAA | H3 | 120.0° | 30.1° |
| OAD | CAT | NAR | H4 | 178.9° | 179.9° |
| CAT | CAA | H1 | H2 | 120.0° | 120.0° |
| CAT | CAA | H1 | H3 | 120.0° | 120.0° |
| CAT | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAT | NAR | H4 | 0.1° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | NAR | CBB | H5 | 134.1° | 145.0° |
| H5 | CBB | CAC | H6 | 62.0° | 180.0° |
| H5 | CBB | CAC | H7 | 178.0° | 60.1° |
| H5 | CBB | CAC | H8 | 58.0° | 60.0° |
| H6 | CAC | H7 | H8 | 120.0° | 119.9° |
| H9 | CD2 | CG | H11 | 31.5° | 86.1° |
| H10 | CD2 | CG | H11 | 89.5° | 36.3° |
| H11 | CG | OD1 | H12 | 56.9° | 62.5° |
| H11 | CG | CB | H13 | 33.4° | 88.1° |
| H11 | CG | CB | H14 | 87.8° | 35.1° |
| H13 | CB | CA | H15 | 144.8° | 21.4° |
| H14 | CB | CA | H15 | 23.5° | 144.7° |
| H16 | NAQ | CAM | H17 | 32.1° | 120.1° |
| H16 | NAQ | CAM | H18 | 151.7° | 120.0° |
| H19 | CAI | CAK | H20 | 0.9° | 0.0° |
| H21 | CAH | CAJ | H22 | 0.8° | 0.0° |
| H24 | CAB | H25 | H26 | 120.0° | 120.0° |
