4E5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAY | sing | 1.36Å | 1.36Å | |
| CAY | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | CD1 | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAZ | sing | 1.40Å | 1.41Å | Aromatic |
| OAA | CAV | doub | 1.21Å | 1.25Å | |
| CD1 | CG | doub | 1.38Å | 1.41Å | Aromatic |
| CAZ | CAV | sing | 1.48Å | 1.50Å | |
| CAZ | CD2 | doub | 1.40Å | 1.41Å | Aromatic |
| CAV | OAC | sing | 1.35Å | 1.25Å | |
| CG | CD2 | sing | 1.38Å | 1.42Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| OXT | C | doub | 1.21Å | 1.24Å | |
| CB | CAR | sing | 1.55Å | 1.53Å | |
| CB | CA | sing | 1.54Å | 1.54Å | |
| CAR | CAQ | sing | 1.55Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | O | sing | 1.34Å | 1.24Å | |
| CA | N | sing | 1.48Å | 1.47Å | |
| CAQ | N | sing | 1.49Å | 1.48Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| CAQ | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| OAC | H10 | sing | 0.97Å | 0.95Å | |
| OAU | H11 | sing | 0.97Å | 0.95Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CD1 | H13 | sing | 1.08Å | 1.08Å | |
| CD2 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAU | CAY | CAM | 120.6° | 120.0° |
| OAU | CAY | CD1 | 119.3° | 120.0° |
| CAY | OAU | H11 | 109.5° | 114.0° |
| CAM | CAY | CD1 | 120.1° | 120.0° |
| CAY | CAM | CAZ | 120.2° | 119.8° |
| CAY | CAM | H4 | 119.9° | 120.1° |
| CAY | CD1 | CG | 120.0° | 120.3° |
| CAY | CD1 | H13 | 120.0° | 119.8° |
| CAM | CAZ | CAV | 119.6° | 120.1° |
| CAM | CAZ | CD2 | 119.7° | 119.8° |
| CAZ | CAM | H4 | 119.9° | 120.1° |
| OAA | CAV | CAZ | 119.0° | 120.0° |
| OAA | CAV | OAC | 121.3° | 120.0° |
| CD1 | CG | CD2 | 120.2° | 120.2° |
| CD1 | CG | CB | 120.0° | 119.9° |
| CG | CD1 | H13 | 120.0° | 119.9° |
| CAV | CAZ | CD2 | 120.7° | 120.1° |
| CAZ | CAV | OAC | 119.7° | 120.0° |
| CAZ | CD2 | CG | 119.6° | 119.9° |
| CAZ | CD2 | H14 | 120.2° | 120.1° |
| CAV | OAC | H10 | 109.5° | 117.0° |
| CD2 | CG | CB | 119.8° | 119.9° |
| CG | CD2 | H14 | 120.2° | 120.0° |
| CG | CB | CAR | 114.9° | 110.3° |
| CG | CB | CA | 112.9° | 110.3° |
| CG | CB | H12 | 108.7° | 110.3° |
| OXT | C | CA | 119.0° | 120.0° |
| OXT | C | O | 122.3° | 120.0° |
| CAR | CB | CA | 103.2° | 105.1° |
| CB | CAR | CAQ | 100.8° | 103.0° |
| CB | CAR | H7 | 111.6° | 110.7° |
| CB | CAR | H8 | 111.6° | 110.9° |
| CAR | CB | H12 | 108.5° | 110.3° |
| CB | CA | C | 110.2° | 110.1° |
| CB | CA | N | 105.0° | 107.1° |
| CB | CA | H3 | 110.5° | 109.9° |
| CA | CB | H12 | 108.4° | 110.3° |
| CAR | CAQ | N | 104.5° | 103.2° |
| CAR | CAQ | H5 | 110.7° | 110.7° |
| CAR | CAQ | H6 | 110.7° | 110.8° |
| CAQ | CAR | H7 | 111.6° | 110.7° |
| CAQ | CAR | H8 | 111.6° | 110.7° |
| CA | C | O | 118.6° | 120.0° |
| C | CA | N | 109.1° | 110.0° |
| C | CA | H3 | 110.4° | 109.9° |
| C | O | H9 | 109.5° | 117.1° |
| CA | N | CAQ | 109.4° | 105.8° |
| CA | N | H1 | 109.5° | 111.0° |
| N | CA | H3 | 111.5° | 109.9° |
| CAQ | N | H1 | 109.5° | 111.0° |
| N | CAQ | H5 | 110.7° | 110.7° |
| N | CAQ | H6 | 110.7° | 110.6° |
| H5 | CAQ | H6 | 109.5° | 110.6° |
| H7 | CAR | H8 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | CAY | CAM | CD1 | 179.4° | 180.0° |
| OAU | CAY | CAM | CAZ | 179.9° | 180.0° |
| OAU | CAY | CD1 | CG | 179.9° | 180.0° |
| OAU | CAY | CAM | H4 | 0.1° | 0.3° |
| OAU | CAY | CD1 | H13 | 0.1° | 0.0° |
| CAY | CAM | CAZ | H4 | 180.0° | 179.7° |
| CAM | CAY | CD1 | CG | 0.8° | 0.0° |
| CAY | CAM | CAZ | CAV | 179.9° | 179.7° |
| CAY | CAM | CAZ | CD2 | 0.6° | 0.3° |
| CAM | CAY | OAU | H11 | 180.0° | 90.0° |
| CAM | CAY | CD1 | H13 | 179.2° | 180.0° |
| CD1 | CAY | CAM | CAZ | 0.7° | 0.0° |
| CAY | CD1 | CG | H13 | 180.0° | 180.0° |
| CAY | CD1 | CG | CD2 | 0.7° | 0.3° |
| CAY | CD1 | CG | CB | 179.9° | 179.8° |
| CD1 | CAY | CAM | H4 | 179.2° | 179.7° |
| CD1 | CAY | OAU | H11 | 0.6° | 90.0° |
| CAM | CAZ | CAV | OAA | 6.0° | 180.0° |
| CAM | CAZ | CAV | CD2 | 179.5° | 180.0° |
| CAM | CAZ | CAV | OAC | 174.6° | 0.0° |
| CAM | CAZ | CD2 | CG | 0.4° | 0.5° |
| CAM | CAZ | CD2 | H14 | 179.5° | 180.0° |
| OAA | CAV | CAZ | OAC | 179.4° | 180.0° |
| OAA | CAV | CAZ | CD2 | 173.5° | 0.0° |
| OAA | CAV | OAC | H10 | 0.0° | 0.1° |
| CD1 | CG | CD2 | CAZ | 0.5° | 0.6° |
| CD1 | CG | CD2 | CB | 179.4° | 179.4° |
| CD1 | CG | CB | CAR | 114.6° | 58.0° |
| CD1 | CG | CB | CA | 127.4° | 57.7° |
| CD1 | CG | CB | H12 | 7.2° | 179.9° |
| CD1 | CG | CD2 | H14 | 179.5° | 179.9° |
| CAV | CAZ | CD2 | CG | 180.0° | 179.5° |
| CAV | CAZ | CAM | H4 | 0.1° | 0.0° |
| CAZ | CAV | OAC | H10 | 179.4° | 180.0° |
| CAV | CAZ | CD2 | H14 | 0.0° | 0.0° |
| CD2 | CAZ | CAV | OAC | 5.9° | 180.0° |
| CAZ | CD2 | CG | H14 | 180.0° | 179.5° |
| CAZ | CD2 | CG | CB | 179.9° | 180.0° |
| CD2 | CAZ | CAM | H4 | 179.4° | 180.0° |
| CD2 | CG | CB | CAR | 66.0° | 121.4° |
| CD2 | CG | CB | CA | 52.0° | 122.9° |
| CD2 | CG | CB | H12 | 172.3° | 0.7° |
| CD2 | CG | CD1 | H13 | 179.3° | 179.7° |
| CG | CB | CAR | CA | 123.3° | 118.9° |
| CG | CB | CAR | H12 | 121.9° | 122.2° |
| CG | CB | CA | H12 | 120.4° | 122.2° |
| CG | CB | CAR | CAQ | 163.5° | 140.9° |
| CG | CB | CA | C | 89.3° | 122.9° |
| CG | CB | CA | N | 153.4° | 117.7° |
| CG | CB | CA | H3 | 33.0° | 1.6° |
| CG | CB | CAR | H7 | 77.9° | 22.5° |
| CG | CB | CAR | H8 | 45.0° | 100.7° |
| CB | CG | CD1 | H13 | 0.1° | 0.3° |
| CB | CG | CD2 | H14 | 0.1° | 0.5° |
| OXT | C | CA | CB | 56.4° | 99.2° |
| OXT | C | CA | O | 178.3° | 180.0° |
| OXT | C | CA | N | 171.2° | 18.5° |
| OXT | C | CA | H3 | 65.9° | 139.6° |
| OXT | C | O | H9 | 0.0° | 0.0° |
| CAR | CB | CA | H12 | 114.9° | 118.9° |
| CB | CAR | CAQ | H7 | 118.6° | 118.4° |
| CB | CAR | CAQ | H8 | 118.6° | 118.5° |
| CAR | CB | CA | C | 146.1° | 118.2° |
| CAR | CB | CA | N | 28.8° | 1.2° |
| CB | CAR | CAQ | N | 37.5° | 37.4° |
| CAR | CB | CA | H3 | 91.6° | 120.6° |
| CB | CAR | CAQ | H5 | 81.7° | 155.9° |
| CB | CAR | CAQ | H6 | 156.7° | 81.1° |
| CB | CAR | H7 | H8 | 124.1° | 123.3° |
| CA | CB | CAR | CAQ | 40.3° | 21.9° |
| CB | CA | C | N | 114.8° | 117.7° |
| CB | CA | C | H3 | 122.4° | 121.2° |
| CB | CA | C | O | 121.9° | 80.9° |
| CB | CA | N | H3 | 119.7° | 119.3° |
| CB | CA | N | CAQ | 5.1° | 25.3° |
| CB | CA | N | H1 | 125.1° | 95.2° |
| CA | CB | CAR | H7 | 158.8° | 96.4° |
| CA | CB | CAR | H8 | 78.3° | 140.4° |
| CAR | CAQ | N | CA | 20.6° | 39.2° |
| CAR | CAQ | N | H5 | 119.2° | 118.5° |
| CAR | CAQ | N | H6 | 119.2° | 118.6° |
| CAR | CAQ | N | H1 | 99.4° | 81.3° |
| CAR | CAQ | H5 | H6 | 122.3° | 123.2° |
| CAQ | CAR | H7 | H8 | 124.0° | 123.1° |
| CAQ | CAR | CB | H12 | 74.6° | 97.0° |
| C | CA | N | H3 | 122.2° | 121.1° |
| C | CA | N | CAQ | 123.3° | 94.2° |
| C | CA | N | H1 | 116.8° | 145.3° |
| CA | C | O | H9 | 178.3° | 180.0° |
| C | CA | CB | H12 | 31.2° | 0.7° |
| O | C | CA | N | 7.1° | 161.4° |
| O | C | CA | H3 | 115.8° | 40.3° |
| CA | N | CAQ | H1 | 120.0° | 120.5° |
| CA | N | CAQ | H5 | 98.7° | 157.7° |
| CA | N | CAQ | H6 | 139.7° | 79.4° |
| N | CA | CB | H12 | 86.2° | 120.1° |
| CAQ | N | CA | H3 | 114.5° | 144.7° |
| N | CAQ | H5 | H6 | 122.3° | 123.0° |
| N | CAQ | CAR | H7 | 156.1° | 81.0° |
| N | CAQ | CAR | H8 | 81.1° | 155.9° |
| H1 | N | CA | H3 | 5.4° | 24.2° |
| H1 | N | CAQ | H5 | 141.4° | 37.2° |
| H1 | N | CAQ | H6 | 19.8° | 160.1° |
| H3 | CA | CB | H12 | 153.5° | 120.6° |
| H5 | CAQ | CAR | H7 | 36.9° | 37.5° |
| H5 | CAQ | CAR | H8 | 159.7° | 85.6° |
| H6 | CAQ | CAR | H7 | 84.7° | 160.5° |
| H6 | CAQ | CAR | H8 | 38.1° | 37.5° |
| H7 | CAR | CB | H12 | 44.0° | 144.6° |
| H8 | CAR | CB | H12 | 166.8° | 21.5° |
