AOZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAE | doub | 1.21Å | 1.26Å | |
| CAQ | NAN | doub | 1.31Å | 1.32Å | Aromatic |
| CAQ | NAQ | sing | 1.35Å | 1.33Å | Aromatic |
| NAN | CAL | sing | 1.34Å | 1.34Å | Aromatic |
| NAQ | CAP | sing | 1.37Å | 1.34Å | Aromatic |
| CAL | CAK | sing | 1.51Å | 1.51Å | |
| CAL | CAP | doub | 1.35Å | 1.40Å | Aromatic |
| CAE | OAB | sing | 1.34Å | 1.26Å | |
| CAE | CAI | sing | 1.51Å | 1.53Å | |
| CAK | CAI | sing | 1.53Å | 1.52Å | |
| CAI | N | sing | 1.47Å | 1.44Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| OAB | H8 | sing | 0.97Å | 0.95Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.08Å | 1.08Å | |
| CAQ | H13 | sing | 1.08Å | 1.08Å | |
| NAQ | H14 | sing | 0.97Å | 1.00Å | |
| OXT | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAE | OAB | 118.2° | 120.0° |
| OAF | CAE | CAI | 120.8° | 120.0° |
| NAN | CAQ | NAQ | 110.3° | 108.7° |
| CAQ | NAN | CAL | 108.4° | 109.2° |
| NAN | CAQ | H13 | 124.9° | 125.6° |
| CAQ | NAQ | CAP | 108.0° | 107.2° |
| NAQ | CAQ | H13 | 124.9° | 125.7° |
| CAQ | NAQ | H14 | 126.0° | 126.4° |
| NAN | CAL | CAK | 125.0° | 126.0° |
| NAN | CAL | CAP | 106.4° | 108.0° |
| NAQ | CAP | CAL | 107.0° | 106.8° |
| NAQ | CAP | H12 | 126.5° | 126.6° |
| CAP | NAQ | H14 | 126.0° | 126.3° |
| CAK | CAL | CAP | 128.6° | 126.0° |
| CAL | CAK | CAI | 116.9° | 109.5° |
| CAL | CAK | H9 | 107.6° | 109.5° |
| CAL | CAK | H10 | 107.6° | 109.5° |
| CAL | CAP | H12 | 126.5° | 126.6° |
| OAB | CAE | CAI | 121.0° | 120.0° |
| CAE | OAB | H8 | 109.5° | 117.0° |
| CAE | CAI | CAK | 111.7° | 109.5° |
| CAE | CAI | N | 111.5° | 109.5° |
| CAE | CAI | H7 | 105.4° | 109.4° |
| CAK | CAI | N | 115.6° | 109.5° |
| CAK | CAI | H7 | 105.5° | 109.5° |
| CAI | CAK | H9 | 107.6° | 109.5° |
| CAI | CAK | H10 | 107.6° | 109.5° |
| CAI | N | CA | 120.3° | 111.0° |
| CAI | N | H5 | 106.7° | 111.0° |
| N | CAI | H7 | 106.3° | 109.5° |
| N | CA | C | 114.8° | 109.5° |
| N | CA | CB | 108.9° | 109.5° |
| N | CA | H1 | 108.5° | 109.4° |
| CA | N | H5 | 106.7° | 111.0° |
| C | CA | CB | 108.5° | 109.5° |
| CA | C | O | 118.5° | 120.1° |
| CA | C | OXT | 120.7° | 120.0° |
| C | CA | H1 | 107.8° | 109.5° |
| CB | CA | H1 | 108.1° | 109.4° |
| CA | CB | H2 | 109.5° | 109.5° |
| CA | CB | H3 | 109.5° | 109.5° |
| CA | CB | H4 | 109.5° | 109.4° |
| O | C | OXT | 120.7° | 120.0° |
| C | OXT | H15 | 109.5° | 117.0° |
| H2 | CB | H3 | 109.5° | 109.5° |
| H2 | CB | H4 | 109.4° | 109.5° |
| H3 | CB | H4 | 109.4° | 109.4° |
| H9 | CAK | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAE | OAB | CAI | 180.0° | 179.9° |
| OAF | CAE | CAI | CAK | 44.6° | 120.0° |
| OAF | CAE | CAI | N | 175.6° | 0.1° |
| OAF | CAE | CAI | H7 | 69.4° | 120.0° |
| OAF | CAE | OAB | H8 | 0.0° | 0.0° |
| NAN | CAQ | NAQ | H13 | 180.0° | 179.8° |
| NAN | CAQ | NAQ | CAP | 1.3° | 0.0° |
| CAQ | NAN | CAL | CAK | 179.6° | 180.0° |
| CAQ | NAN | CAL | CAP | 1.0° | 0.3° |
| NAN | CAQ | NAQ | H14 | 178.7° | 179.9° |
| NAQ | CAQ | NAN | CAL | 1.4° | 0.2° |
| CAQ | NAQ | CAP | H14 | 180.0° | 180.0° |
| CAQ | NAQ | CAP | CAL | 0.6° | 0.1° |
| CAQ | NAQ | CAP | H12 | 179.4° | 179.9° |
| NAN | CAL | CAP | NAQ | 0.3° | 0.2° |
| NAN | CAL | CAK | CAP | 178.2° | 179.7° |
| NAN | CAL | CAK | CAI | 148.7° | 54.7° |
| NAN | CAL | CAK | H9 | 90.2° | 174.7° |
| NAN | CAL | CAK | H10 | 27.6° | 65.3° |
| NAN | CAL | CAP | H12 | 179.7° | 179.8° |
| CAL | NAN | CAQ | H13 | 178.5° | 179.9° |
| NAQ | CAP | CAL | CAK | 178.7° | 180.0° |
| NAQ | CAP | CAL | H12 | 180.0° | 180.0° |
| CAP | NAQ | CAQ | H13 | 178.7° | 179.8° |
| CAL | CAK | CAI | CAE | 60.3° | 175.0° |
| CAL | CAK | CAI | H9 | 121.1° | 120.0° |
| CAL | CAK | CAI | H10 | 121.1° | 120.0° |
| CAL | CAK | CAI | N | 68.6° | 65.0° |
| CAL | CAK | CAI | H7 | 174.3° | 55.0° |
| CAL | CAK | H9 | H10 | 116.6° | 120.0° |
| CAK | CAL | CAP | H12 | 1.3° | 0.0° |
| CAP | CAL | CAK | CAI | 33.1° | 125.0° |
| CAP | CAL | CAK | H9 | 88.0° | 5.0° |
| CAP | CAL | CAK | H10 | 154.2° | 115.0° |
| CAL | CAP | NAQ | H14 | 179.4° | 179.9° |
| OAB | CAE | CAI | CAK | 135.4° | 59.9° |
| OAB | CAE | CAI | N | 4.4° | 180.0° |
| OAB | CAE | CAI | H7 | 110.5° | 60.1° |
| CAE | CAI | CAK | N | 128.8° | 120.0° |
| CAE | CAI | CAK | H7 | 114.0° | 120.0° |
| CAE | CAI | N | H7 | 114.4° | 119.9° |
| CAE | CAI | N | CA | 174.2° | 85.0° |
| CAE | CAI | N | H5 | 64.2° | 39.0° |
| CAI | CAE | OAB | H8 | 180.0° | 179.9° |
| CAE | CAI | CAK | H9 | 178.6° | 65.0° |
| CAE | CAI | CAK | H10 | 60.8° | 55.0° |
| CAK | CAI | N | H7 | 116.6° | 120.0° |
| CAK | CAI | N | CA | 45.3° | 155.0° |
| CAK | CAI | N | H5 | 166.8° | 81.0° |
| CAI | CAK | H9 | H10 | 116.7° | 120.0° |
| CAI | N | CA | H5 | 121.5° | 124.0° |
| CAI | N | CA | C | 51.4° | 155.0° |
| CAI | N | CA | CB | 173.2° | 85.0° |
| CAI | N | CA | H1 | 69.4° | 35.0° |
| N | CAI | CAK | H9 | 52.5° | 55.0° |
| N | CAI | CAK | H10 | 170.4° | 175.0° |
| N | CA | C | CB | 122.0° | 120.0° |
| N | CA | C | H1 | 121.1° | 120.0° |
| N | CA | CB | H1 | 117.7° | 119.9° |
| N | CA | C | O | 36.7° | 0.0° |
| N | CA | C | OXT | 143.5° | 179.7° |
| N | CA | CB | H2 | 180.0° | 60.0° |
| N | CA | CB | H3 | 60.0° | 180.0° |
| N | CA | CB | H4 | 60.0° | 60.1° |
| CA | N | CAI | H7 | 71.4° | 34.9° |
| C | CA | CB | H1 | 116.7° | 120.0° |
| CA | C | O | OXT | 179.8° | 179.7° |
| C | CA | CB | H2 | 54.4° | 180.0° |
| C | CA | CB | H3 | 65.6° | 60.0° |
| C | CA | CB | H4 | 174.4° | 60.0° |
| C | CA | N | H5 | 70.2° | 31.0° |
| CA | C | OXT | H15 | 179.8° | 179.8° |
| CB | CA | C | O | 85.4° | 120.0° |
| CB | CA | C | OXT | 94.5° | 60.3° |
| CA | CB | H2 | H3 | 120.0° | 120.0° |
| CA | CB | H2 | H4 | 120.0° | 120.0° |
| CA | CB | H3 | H4 | 120.0° | 120.0° |
| CB | CA | N | H5 | 51.6° | 151.1° |
| O | C | CA | H1 | 157.8° | 120.0° |
| O | C | OXT | H15 | 0.0° | 0.1° |
| OXT | C | CA | H1 | 22.4° | 59.7° |
| H1 | CA | CB | H2 | 62.3° | 60.0° |
| H1 | CA | CB | H3 | 177.7° | 60.0° |
| H1 | CA | CB | H4 | 57.7° | 180.0° |
| H1 | CA | N | H5 | 169.1° | 89.0° |
| H2 | CB | H3 | H4 | 119.9° | 120.0° |
| H5 | N | CAI | H7 | 50.1° | 158.9° |
| H7 | CAI | CAK | H9 | 64.6° | 175.0° |
| H7 | CAI | CAK | H10 | 53.3° | 65.0° |
| H12 | CAP | NAQ | H14 | 0.6° | 0.1° |
| H13 | CAQ | NAQ | H14 | 1.3° | 0.2° |
