4E7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | CAM | sing | 1.38Å | 1.42Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| CAM | CAZ | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | CAR | sing | 1.53Å | 1.56Å | |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CG | CD2 | doub | 1.38Å | 1.41Å | Aromatic |
| CAZ | CD2 | sing | 1.40Å | 1.41Å | Aromatic |
| CAZ | CAV | sing | 1.48Å | 1.48Å | |
| CB | CAR | sing | 1.55Å | 1.55Å | |
| CB | CA | sing | 1.54Å | 1.56Å | |
| CAR | CAQ | sing | 1.55Å | 1.54Å | |
| OXT | C | doub | 1.21Å | 1.24Å | |
| CAV | OAC | doub | 1.21Å | 1.25Å | |
| CAV | OAA | sing | 1.35Å | 1.25Å | |
| CAQ | N | sing | 1.49Å | 1.49Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| CA | N | sing | 1.48Å | 1.48Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| O | H10 | sing | 0.97Å | 0.95Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| OAA | H11 | sing | 0.97Å | 0.95Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CAY | CAM | 120.7° | 120.1° |
| CAY | CD1 | CG | 120.4° | 120.3° |
| CD1 | CAY | HAY | 119.6° | 119.9° |
| CAY | CD1 | HD1 | 119.8° | 119.8° |
| CAY | CAM | CAZ | 119.0° | 119.9° |
| CAY | CAM | HAM | 120.5° | 120.0° |
| CAM | CAY | HAY | 119.7° | 120.0° |
| CD1 | CG | CB | 122.1° | 119.9° |
| CD1 | CG | CD2 | 118.7° | 120.2° |
| CG | CD1 | HD1 | 119.8° | 119.9° |
| C3 | C2 | C1 | 112.6° | 109.5° |
| C3 | C2 | H3 | 108.7° | 109.5° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| CAM | CAZ | CD2 | 119.8° | 119.7° |
| CAM | CAZ | CAV | 122.4° | 120.2° |
| CAZ | CAM | HAM | 120.5° | 120.1° |
| C2 | C1 | CAR | 114.0° | 109.5° |
| C2 | C1 | H2 | 108.3° | 109.4° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.5° |
| C1 | CAR | CB | 117.4° | 110.7° |
| C1 | CAR | CAQ | 114.9° | 110.7° |
| C1 | CAR | HAR1 | 107.5° | 110.8° |
| CAR | C1 | H2 | 108.4° | 109.5° |
| CAR | C1 | H1 | 108.3° | 109.5° |
| CB | CG | CD2 | 119.2° | 119.9° |
| CG | CB | CAR | 114.9° | 110.3° |
| CG | CB | CA | 112.7° | 110.3° |
| CG | CB | HB | 108.8° | 110.3° |
| CG | CD2 | CAZ | 121.4° | 119.8° |
| CG | CD2 | HD2 | 119.3° | 120.1° |
| CD2 | CAZ | CAV | 117.8° | 120.1° |
| CAZ | CD2 | HD2 | 119.3° | 120.1° |
| CAZ | CAV | OAC | 121.3° | 120.0° |
| CAZ | CAV | OAA | 116.2° | 120.0° |
| CAR | CB | CA | 103.4° | 105.2° |
| CB | CAR | CAQ | 100.9° | 102.9° |
| CAR | CB | HB | 108.4° | 110.3° |
| CB | CAR | HAR1 | 107.7° | 110.7° |
| CB | CA | C | 114.3° | 110.1° |
| CB | CA | N | 106.4° | 107.0° |
| CB | CA | HA | 109.1° | 109.9° |
| CA | CB | HB | 108.3° | 110.3° |
| CAR | CAQ | N | 105.0° | 103.2° |
| CAR | CAQ | HAQ1 | 110.6° | 110.7° |
| CAR | CAQ | HAQ2 | 110.6° | 110.8° |
| CAQ | CAR | HAR1 | 107.8° | 110.7° |
| OXT | C | CA | 117.7° | 120.0° |
| OXT | C | O | 121.8° | 120.0° |
| OAC | CAV | OAA | 122.4° | 120.0° |
| CAV | OAA | H11 | 109.5° | 117.0° |
| CAQ | N | CA | 107.9° | 105.8° |
| CAQ | N | H8 | 109.9° | 111.0° |
| N | CAQ | HAQ1 | 110.5° | 110.7° |
| N | CAQ | HAQ2 | 110.6° | 110.7° |
| CA | C | O | 120.5° | 120.0° |
| C | CA | N | 107.5° | 109.9° |
| C | CA | HA | 109.2° | 109.9° |
| C | O | H10 | 109.5° | 117.0° |
| CA | N | H8 | 109.9° | 111.0° |
| N | CA | HA | 110.2° | 110.0° |
| HAQ1 | CAQ | HAQ2 | 109.5° | 110.6° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CAY | CAM | HAY | 180.0° | 180.0° |
| CAY | CD1 | CG | HD1 | 180.0° | 179.9° |
| CD1 | CAY | CAM | CAZ | 1.6° | 0.0° |
| CAY | CD1 | CG | CB | 179.5° | 179.7° |
| CAY | CD1 | CG | CD2 | 0.3° | 0.2° |
| CD1 | CAY | CAM | HAM | 178.4° | 179.7° |
| CAM | CAY | CD1 | CG | 1.3° | 0.1° |
| CAY | CAM | CAZ | HAM | 180.0° | 179.8° |
| CAY | CAM | CAZ | CD2 | 0.9° | 0.3° |
| CAY | CAM | CAZ | CAV | 178.2° | 179.8° |
| CAM | CAY | CD1 | HD1 | 178.7° | 180.0° |
| CD1 | CG | CB | CD2 | 179.8° | 179.5° |
| CD1 | CG | CD2 | CAZ | 0.5° | 0.5° |
| CD1 | CG | CB | CAR | 130.3° | 59.5° |
| CD1 | CG | CB | CA | 111.6° | 56.2° |
| CD1 | CG | CB | HB | 8.6° | 178.4° |
| CG | CD1 | CAY | HAY | 178.7° | 180.0° |
| CD1 | CG | CD2 | HD2 | 179.6° | 180.0° |
| C3 | C2 | C1 | H3 | 120.5° | 120.0° |
| C3 | C2 | C1 | H4 | 120.5° | 120.0° |
| C3 | C2 | C1 | CAR | 144.2° | 180.0° |
| C3 | C2 | C1 | H2 | 23.5° | 60.0° |
| C3 | C2 | C1 | H1 | 95.1° | 60.0° |
| C3 | C2 | H3 | H4 | 118.6° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.1° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.1° |
| CAM | CAZ | CD2 | CG | 0.2° | 0.5° |
| CAM | CAZ | CD2 | CAV | 179.1° | 180.0° |
| CAM | CAZ | CAV | OAC | 31.9° | 180.0° |
| CAM | CAZ | CAV | OAA | 147.9° | 0.0° |
| CAZ | CAM | CAY | HAY | 178.4° | 180.0° |
| CAM | CAZ | CD2 | HD2 | 179.9° | 180.0° |
| C2 | C1 | CAR | H2 | 120.7° | 120.0° |
| C2 | C1 | CAR | H1 | 120.7° | 120.0° |
| C2 | C1 | CAR | CB | 174.2° | 175.0° |
| C2 | C1 | CAR | CAQ | 55.8° | 71.5° |
| C2 | C1 | CAR | HAR1 | 64.2° | 51.7° |
| C2 | C1 | H2 | H1 | 118.0° | 120.0° |
| C1 | C2 | H3 | H4 | 118.6° | 120.0° |
| C1 | C2 | C3 | H5 | 180.0° | 60.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C3 | H7 | 60.0° | 180.0° |
| C1 | CAR | CB | CG | 73.8° | 100.8° |
| C1 | CAR | CB | CAQ | 125.7° | 118.3° |
| C1 | CAR | CB | HAR1 | 121.4° | 123.3° |
| C1 | CAR | CB | CA | 163.0° | 140.3° |
| C1 | CAR | CAQ | HAR1 | 119.9° | 123.3° |
| C1 | CAR | CAQ | N | 166.6° | 155.8° |
| C1 | CAR | CB | HB | 48.2° | 21.4° |
| C1 | CAR | CAQ | HAQ1 | 47.3° | 85.8° |
| C1 | CAR | CAQ | HAQ2 | 74.1° | 37.3° |
| CAR | C1 | H2 | H1 | 117.9° | 120.0° |
| CAR | C1 | C2 | H3 | 95.3° | 60.0° |
| CAR | C1 | C2 | H4 | 23.8° | 60.0° |
| CB | CG | CD2 | CAZ | 179.7° | 180.0° |
| CG | CB | CAR | CA | 123.2° | 118.9° |
| CG | CB | CAR | HB | 121.9° | 122.1° |
| CG | CB | CA | HB | 120.4° | 122.2° |
| CG | CB | CAR | CAQ | 160.5° | 140.9° |
| CG | CB | CA | C | 94.1° | 122.9° |
| CG | CB | CA | N | 147.4° | 117.7° |
| CG | CB | CA | HA | 28.5° | 1.7° |
| CG | CB | CAR | HAR1 | 47.7° | 22.5° |
| CB | CG | CD1 | HD1 | 0.5° | 0.2° |
| CB | CG | CD2 | HD2 | 0.3° | 0.5° |
| CG | CD2 | CAZ | HD2 | 180.0° | 179.4° |
| CG | CD2 | CAZ | CAV | 179.3° | 179.5° |
| CD2 | CG | CB | CAR | 49.5° | 120.0° |
| CD2 | CG | CB | CA | 68.6° | 124.3° |
| CD2 | CG | CB | HB | 171.2° | 2.1° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.7° |
| CD2 | CAZ | CAV | OAC | 149.0° | 0.1° |
| CD2 | CAZ | CAV | OAA | 31.2° | 179.9° |
| CD2 | CAZ | CAM | HAM | 179.1° | 180.0° |
| CAZ | CAV | OAC | OAA | 179.8° | 180.0° |
| CAV | CAZ | CAM | HAM | 1.8° | 0.0° |
| CAZ | CAV | OAA | H11 | 179.8° | 180.0° |
| CAV | CAZ | CD2 | HD2 | 0.7° | 0.1° |
| CAR | CB | CA | HB | 114.9° | 118.9° |
| CB | CAR | CAQ | HAR1 | 112.8° | 118.4° |
| CB | CAR | CAQ | N | 39.2° | 37.4° |
| CAR | CB | CA | C | 141.2° | 118.2° |
| CAR | CB | CA | N | 22.7° | 1.2° |
| CAR | CB | CA | HA | 96.1° | 120.6° |
| CB | CAR | CAQ | HAQ1 | 80.1° | 155.9° |
| CB | CAR | CAQ | HAQ2 | 158.5° | 81.1° |
| CB | CAR | C1 | H2 | 65.1° | 65.0° |
| CB | CAR | C1 | H1 | 53.6° | 55.0° |
| CA | CB | CAR | CAQ | 37.3° | 22.0° |
| CB | CA | C | OXT | 54.8° | 99.1° |
| CB | CA | N | CAQ | 1.8° | 25.3° |
| CB | CA | C | N | 117.9° | 117.7° |
| CB | CA | C | HA | 122.6° | 121.2° |
| CB | CA | C | O | 125.9° | 80.8° |
| CB | CA | N | HA | 118.2° | 119.4° |
| CB | CA | N | H8 | 121.6° | 145.8° |
| CA | CB | CAR | HAR1 | 75.6° | 96.4° |
| CAR | CAQ | N | HAQ1 | 119.3° | 118.4° |
| CAR | CAQ | N | HAQ2 | 119.3° | 118.6° |
| CAR | CAQ | N | CA | 26.0° | 39.2° |
| CAR | CAQ | N | H8 | 145.8° | 159.7° |
| CAQ | CAR | CB | HB | 77.6° | 97.0° |
| CAR | CAQ | HAQ1 | HAQ2 | 122.1° | 123.2° |
| CAQ | CAR | C1 | H2 | 176.5° | 48.5° |
| CAQ | CAR | C1 | H1 | 64.9° | 168.5° |
| OXT | C | CA | O | 179.2° | 179.9° |
| OXT | C | CA | N | 172.7° | 18.6° |
| OXT | C | CA | HA | 67.8° | 139.7° |
| OXT | C | O | H10 | 0.0° | 0.1° |
| OAC | CAV | OAA | H11 | 0.0° | 0.0° |
| CAQ | N | CA | C | 121.1° | 94.2° |
| CAQ | N | CA | H8 | 119.7° | 120.5° |
| CAQ | N | CA | HA | 120.0° | 144.7° |
| N | CAQ | HAQ1 | HAQ2 | 122.0° | 123.0° |
| N | CAQ | CAR | HAR1 | 73.5° | 81.0° |
| C | CA | N | HA | 118.9° | 121.1° |
| C | CA | N | H8 | 1.3° | 26.3° |
| C | CA | CB | HB | 26.3° | 0.7° |
| CA | C | O | H10 | 179.2° | 180.0° |
| O | C | CA | N | 8.1° | 161.5° |
| O | C | CA | HA | 111.5° | 40.4° |
| N | CA | CB | HB | 92.2° | 120.2° |
| CA | N | CAQ | HAQ1 | 93.3° | 157.6° |
| CA | N | CAQ | HAQ2 | 145.3° | 79.4° |
| H8 | N | CA | HA | 120.3° | 94.8° |
| H8 | N | CAQ | HAQ1 | 26.5° | 81.9° |
| H8 | N | CAQ | HAQ2 | 94.9° | 41.1° |
| HA | CA | CB | HB | 149.0° | 120.4° |
| HB | CB | CAR | HAR1 | 169.6° | 144.7° |
| HAM | CAM | CAY | HAY | 1.6° | 0.2° |
| HAQ1 | CAQ | CAR | HAR1 | 167.2° | 37.5° |
| HAQ2 | CAQ | CAR | HAR1 | 45.8° | 160.6° |
| HAR1 | CAR | C1 | H2 | 56.4° | 171.7° |
| HAR1 | CAR | C1 | H1 | 175.1° | 68.3° |
| HAY | CAY | CD1 | HD1 | 1.3° | 0.1° |
| H2 | C1 | C2 | H3 | 144.0° | 180.0° |
| H2 | C1 | C2 | H4 | 96.9° | 60.0° |
| H1 | C1 | C2 | H3 | 25.4° | 60.0° |
| H1 | C1 | C2 | H4 | 144.4° | 180.0° |
| H3 | C2 | C3 | H5 | 59.5° | 180.0° |
| H3 | C2 | C3 | H6 | 60.4° | 60.0° |
| H3 | C2 | C3 | H7 | 179.5° | 60.0° |
| H4 | C2 | C3 | H5 | 59.5° | 60.0° |
| H4 | C2 | C3 | H6 | 179.5° | 179.9° |
| H4 | C2 | C3 | H7 | 60.5° | 59.9° |
| H5 | C3 | H6 | H7 | 120.0° | 119.9° |
