04J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.33Å | |
| C11 | C | sing | 1.48Å | 1.50Å | |
| C | O | doub | 1.22Å | 1.41Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C2 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| N1 | C8A | sing | 1.34Å | 1.38Å | Aromatic |
| O1 | CT | doub | 1.21Å | 1.25Å | |
| NA2 | C2 | sing | 1.38Å | 1.33Å | |
| C2 | N3 | sing | 1.33Å | 1.38Å | Aromatic |
| CT | O2 | sing | 1.34Å | 1.25Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| C4 | NA4 | sing | 1.38Å | 1.33Å | |
| C4 | C4A | sing | 1.46Å | 1.39Å | Aromatic |
| C4A | N5 | sing | 1.33Å | 1.38Å | Aromatic |
| N5 | C6 | doub | 1.32Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.51Å | |
| N8 | C7 | doub | 1.32Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8A | N8 | sing | 1.34Å | 1.38Å | Aromatic |
| C9 | N10 | sing | 1.47Å | 1.45Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | CT | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OE1 | CD | doub | 1.21Å | 1.25Å | |
| CD | CG | sing | 1.51Å | 1.51Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| N10 | C14 | sing | 1.39Å | 1.42Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C16 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C8A | C4A | doub | 1.42Å | 1.39Å | Aromatic |
| NA2 | HNA2 | sing | 0.97Å | 1.00Å | |
| NA2 | HNAA | sing | 0.97Å | 1.00Å | |
| NA4 | HNA4 | sing | 0.97Å | 1.00Å | |
| NA4 | HNAB | sing | 0.97Å | 1.00Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C11 | 120.5° | 120.0° |
| N | C | O | 120.7° | 120.0° |
| C | N | CA | 119.3° | 120.0° |
| C | N | HN | 120.4° | 120.0° |
| C11 | C | O | 118.8° | 120.0° |
| C | C11 | C16 | 122.0° | 120.0° |
| C | C11 | C12 | 118.1° | 120.1° |
| CA | N | HN | 120.4° | 120.0° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | CT | 112.2° | 109.5° |
| N | CA | HA | 108.5° | 109.5° |
| C2 | N1 | C8A | 119.8° | 121.1° |
| N1 | C2 | NA2 | 120.1° | 118.3° |
| N1 | C2 | N3 | 120.1° | 123.5° |
| N1 | C8A | N8 | 119.7° | 121.9° |
| N1 | C8A | C4A | 120.4° | 118.7° |
| O1 | CT | O2 | 118.6° | 120.0° |
| O1 | CT | CA | 120.9° | 120.0° |
| NA2 | C2 | N3 | 119.7° | 118.2° |
| C2 | NA2 | HNA2 | 109.5° | 120.0° |
| C2 | NA2 | HNAA | 109.5° | 120.0° |
| C2 | N3 | C4 | 120.5° | 121.3° |
| CT | O2 | HO2 | 109.5° | 117.0° |
| O2 | CT | CA | 120.5° | 120.0° |
| N3 | C4 | NA4 | 120.2° | 121.1° |
| N3 | C4 | C4A | 119.6° | 117.7° |
| NA4 | C4 | C4A | 120.2° | 121.2° |
| C4 | NA4 | HNA4 | 109.5° | 120.0° |
| C4 | NA4 | HNAB | 109.5° | 120.0° |
| C4 | C4A | N5 | 120.1° | 122.1° |
| C4 | C4A | C8A | 119.6° | 117.8° |
| C4A | N5 | C6 | 119.8° | 119.5° |
| N5 | C4A | C8A | 120.3° | 120.1° |
| N5 | C6 | C7 | 119.7° | 120.7° |
| N5 | C6 | C9 | 119.8° | 119.7° |
| C7 | C6 | C9 | 120.4° | 119.7° |
| C6 | C7 | N8 | 120.4° | 120.8° |
| C6 | C7 | H7 | 119.8° | 119.6° |
| C6 | C9 | N10 | 111.6° | 109.5° |
| C6 | C9 | H9 | 109.0° | 109.5° |
| C6 | C9 | H9A | 108.9° | 109.5° |
| N8 | C7 | H7 | 119.8° | 119.6° |
| C7 | N8 | C8A | 119.9° | 119.6° |
| N8 | C8A | C4A | 119.9° | 119.4° |
| N10 | C9 | H9 | 108.9° | 109.5° |
| N10 | C9 | H9A | 109.0° | 109.4° |
| C9 | N10 | C14 | 124.1° | 120.0° |
| C9 | N10 | HN10 | 105.7° | 120.0° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| CB | CA | CT | 110.7° | 109.5° |
| CB | CA | HA | 107.5° | 109.4° |
| CA | CB | CG | 111.3° | 109.5° |
| CA | CB | HB | 109.0° | 109.4° |
| CA | CB | HBA | 109.0° | 109.4° |
| CT | CA | HA | 107.8° | 109.4° |
| CG | CB | HB | 109.0° | 109.5° |
| CG | CB | HBA | 109.0° | 109.5° |
| CB | CG | CD | 110.9° | 109.4° |
| CB | CG | HG | 109.1° | 109.5° |
| CB | CG | HGA | 109.1° | 109.5° |
| HB | CB | HBA | 109.5° | 109.5° |
| OE1 | CD | CG | 120.3° | 120.0° |
| OE1 | CD | OE2 | 119.0° | 120.0° |
| CG | CD | OE2 | 120.6° | 120.0° |
| CD | CG | HG | 109.1° | 109.5° |
| CD | CG | HGA | 109.1° | 109.5° |
| CD | OE2 | HOE2 | 109.5° | 117.0° |
| HG | CG | HGA | 109.5° | 109.5° |
| C14 | N10 | HN10 | 105.7° | 120.0° |
| N10 | C14 | C13 | 118.0° | 119.9° |
| N10 | C14 | C15 | 122.2° | 119.9° |
| C16 | C11 | C12 | 119.9° | 119.9° |
| C11 | C16 | C15 | 119.8° | 119.9° |
| C11 | C16 | H16 | 120.1° | 120.1° |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C11 | C12 | H12 | 119.9° | 120.1° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C14 | C15 | C16 | 120.1° | 120.1° |
| C14 | C15 | H15 | 119.9° | 119.9° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| HNA2 | NA2 | HNAA | 109.5° | 120.0° |
| HNA4 | NA4 | HNAB | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C11 | O | 179.2° | 179.7° |
| C | N | CA | HN | 180.0° | 179.9° |
| C | N | CA | CB | 105.8° | 155.0° |
| C | N | CA | CT | 130.6° | 85.0° |
| C | N | CA | HA | 11.6° | 35.0° |
| N | C | C11 | C16 | 24.8° | 0.0° |
| N | C | C11 | C12 | 155.3° | 179.7° |
| C11 | C | N | CA | 176.3° | 179.7° |
| C11 | C | N | HN | 3.7° | 0.3° |
| C | C11 | C16 | C12 | 179.9° | 179.8° |
| C | C11 | C12 | C13 | 179.9° | 180.0° |
| C | C11 | C12 | H12 | 0.2° | 0.0° |
| C | C11 | C16 | C15 | 179.9° | 179.7° |
| C | C11 | C16 | H16 | 0.1° | 0.3° |
| O | C | N | CA | 2.9° | 0.0° |
| O | C | N | HN | 177.1° | 180.0° |
| O | C | C11 | C16 | 156.0° | 179.7° |
| O | C | C11 | C12 | 23.9° | 0.0° |
| N | CA | CT | O1 | 154.0° | 0.0° |
| N | CA | CT | O2 | 25.8° | 179.9° |
| N | CA | CB | CT | 124.5° | 120.0° |
| N | CA | CB | HA | 117.9° | 120.1° |
| N | CA | CT | HA | 119.4° | 120.1° |
| N | CA | CB | CG | 131.9° | 65.0° |
| N | CA | CB | HB | 11.6° | 55.0° |
| N | CA | CB | HBA | 107.9° | 174.9° |
| HN | N | CA | CB | 74.2° | 25.0° |
| HN | N | CA | CT | 49.4° | 95.0° |
| HN | N | CA | HA | 168.4° | 145.0° |
| N1 | C2 | NA2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C8A | N8 | 179.7° | 179.9° |
| C2 | N1 | C8A | C4A | 0.2° | 0.0° |
| N1 | C2 | NA2 | HNA2 | 0.0° | 0.1° |
| N1 | C2 | NA2 | HNAA | 120.0° | 180.0° |
| C8A | N1 | C2 | NA2 | 179.9° | 180.0° |
| C8A | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C8A | C4A | C4 | 0.2° | 0.0° |
| N1 | C8A | C4A | N5 | 179.8° | 180.0° |
| N1 | C8A | N8 | C7 | 179.9° | 179.9° |
| N1 | C8A | N8 | C4A | 179.9° | 180.0° |
| O1 | CT | O2 | CA | 179.8° | 179.9° |
| O1 | CT | O2 | HO2 | 0.0° | 0.1° |
| O1 | CT | CA | CB | 30.8° | 120.0° |
| O1 | CT | CA | HA | 86.6° | 120.1° |
| NA2 | C2 | N3 | C4 | 179.7° | 180.0° |
| C2 | NA2 | HNA2 | HNAA | 120.0° | 179.9° |
| C2 | N3 | C4 | NA4 | 179.9° | 179.9° |
| C2 | N3 | C4 | C4A | 0.4° | 0.0° |
| N3 | C2 | NA2 | HNA2 | 179.7° | 180.0° |
| N3 | C2 | NA2 | HNAA | 59.7° | 0.0° |
| O2 | CT | CA | CB | 149.0° | 59.9° |
| O2 | CT | CA | HA | 93.6° | 60.0° |
| HO2 | O2 | CT | CA | 179.8° | 180.0° |
| N3 | C4 | NA4 | C4A | 179.6° | 179.9° |
| N3 | C4 | C4A | N5 | 179.5° | 180.0° |
| N3 | C4 | C4A | C8A | 0.5° | 0.0° |
| N3 | C4 | NA4 | HNA4 | 0.0° | 0.0° |
| N3 | C4 | NA4 | HNAB | 120.0° | 180.0° |
| NA4 | C4 | C4A | N5 | 0.1° | 0.1° |
| NA4 | C4 | C4A | C8A | 179.9° | 179.9° |
| C4 | NA4 | HNA4 | HNAB | 120.0° | 180.0° |
| C4 | C4A | N5 | C8A | 179.9° | 180.0° |
| C4 | C4A | N5 | C6 | 179.9° | 179.9° |
| C4 | C4A | C8A | N8 | 180.0° | 180.0° |
| C4A | C4 | NA4 | HNA4 | 179.6° | 180.0° |
| C4A | C4 | NA4 | HNAB | 60.4° | 0.1° |
| C4A | N5 | C6 | C7 | 0.0° | 0.1° |
| C4A | N5 | C6 | C9 | 180.0° | 180.0° |
| N5 | C4A | C8A | N8 | 0.1° | 0.1° |
| N5 | C6 | C7 | C9 | 180.0° | 179.9° |
| N5 | C6 | C7 | N8 | 0.3° | 0.0° |
| N5 | C6 | C7 | H7 | 179.7° | 180.0° |
| N5 | C6 | C9 | N10 | 150.1° | 85.0° |
| N5 | C6 | C9 | H9 | 89.6° | 35.0° |
| N5 | C6 | C9 | H9A | 29.7° | 155.0° |
| C6 | N5 | C4A | C8A | 0.2° | 0.0° |
| C6 | C7 | N8 | H7 | 180.0° | 179.9° |
| C6 | C7 | N8 | C8A | 0.4° | 0.1° |
| C7 | C6 | C9 | N10 | 29.9° | 94.9° |
| C7 | C6 | C9 | H9 | 90.4° | 145.1° |
| C7 | C6 | C9 | H9A | 150.3° | 25.0° |
| C9 | C6 | C7 | N8 | 179.7° | 179.9° |
| C9 | C6 | C7 | H7 | 0.3° | 0.0° |
| C6 | C9 | N10 | H9 | 120.3° | 120.0° |
| C6 | C9 | N10 | H9A | 120.3° | 120.0° |
| C6 | C9 | H9 | H9A | 119.0° | 120.1° |
| C6 | C9 | N10 | C14 | 81.3° | 180.0° |
| C6 | C9 | N10 | HN10 | 156.8° | 0.0° |
| C7 | N8 | C8A | C4A | 0.2° | 0.1° |
| H7 | C7 | N8 | C8A | 179.6° | 179.9° |
| N10 | C9 | H9 | H9A | 119.0° | 119.9° |
| C9 | N10 | C14 | HN10 | 122.0° | 179.9° |
| C9 | N10 | C14 | C13 | 166.7° | 180.0° |
| C9 | N10 | C14 | C15 | 14.0° | 0.0° |
| H9 | C9 | N10 | C14 | 39.1° | 59.9° |
| H9 | C9 | N10 | HN10 | 82.9° | 120.0° |
| H9A | C9 | N10 | C14 | 158.4° | 60.0° |
| H9A | C9 | N10 | HN10 | 36.5° | 120.0° |
| CB | CA | CT | HA | 117.4° | 120.0° |
| CA | CB | CG | HB | 120.3° | 120.0° |
| CA | CB | CG | HBA | 120.3° | 120.0° |
| CA | CB | HB | HBA | 119.2° | 119.9° |
| CA | CB | CG | CD | 90.0° | 180.0° |
| CA | CB | CG | HG | 149.8° | 60.0° |
| CA | CB | CG | HGA | 30.2° | 60.0° |
| CT | CA | CB | CG | 103.6° | 175.0° |
| CT | CA | CB | HB | 136.1° | 65.0° |
| CT | CA | CB | HBA | 16.6° | 55.0° |
| HA | CA | CB | CG | 13.9° | 55.0° |
| HA | CA | CB | HB | 106.3° | 175.1° |
| HA | CA | CB | HBA | 134.2° | 65.0° |
| CG | CB | HB | HBA | 119.2° | 120.1° |
| CB | CG | CD | OE1 | 66.4° | 0.0° |
| CB | CG | CD | HG | 120.2° | 120.0° |
| CB | CG | CD | HGA | 120.2° | 120.0° |
| CB | CG | CD | OE2 | 113.3° | 180.0° |
| CB | CG | HG | HGA | 119.3° | 120.0° |
| HB | CB | CG | CD | 30.3° | 60.0° |
| HB | CB | CG | HG | 90.0° | 180.0° |
| HB | CB | CG | HGA | 150.5° | 60.0° |
| HBA | CB | CG | CD | 149.7° | 60.0° |
| HBA | CB | CG | HG | 29.5° | 60.0° |
| HBA | CB | CG | HGA | 90.1° | 180.0° |
| OE1 | CD | CG | OE2 | 179.7° | 179.9° |
| OE1 | CD | CG | HG | 53.8° | 120.0° |
| OE1 | CD | CG | HGA | 173.3° | 119.9° |
| OE1 | CD | OE2 | HOE2 | 0.0° | 0.1° |
| CD | CG | HG | HGA | 119.3° | 120.0° |
| CG | CD | OE2 | HOE2 | 179.7° | 180.0° |
| OE2 | CD | CG | HG | 126.5° | 60.0° |
| OE2 | CD | CG | HGA | 7.0° | 60.0° |
| N10 | C14 | C13 | C12 | 180.0° | 180.0° |
| N10 | C14 | C13 | C15 | 179.4° | 179.9° |
| N10 | C14 | C13 | H13 | 0.0° | 0.1° |
| N10 | C14 | C15 | C16 | 179.9° | 179.7° |
| N10 | C14 | C15 | H15 | 0.1° | 0.1° |
| HN10 | N10 | C14 | C13 | 71.3° | 0.1° |
| HN10 | N10 | C14 | C15 | 108.0° | 180.0° |
| C16 | C11 | C12 | C13 | 0.0° | 0.2° |
| C16 | C11 | C12 | H12 | 180.0° | 179.8° |
| C11 | C16 | C15 | C14 | 0.3° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.4° |
| C11 | C16 | C15 | H15 | 179.7° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.5° |
| C12 | C11 | C16 | H16 | 180.0° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.6° | 0.1° |
| H12 | C12 | C13 | C14 | 179.6° | 179.9° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| H13 | C13 | C14 | C15 | 179.4° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 179.7° | 179.9° |
| H15 | C15 | C16 | H16 | 0.2° | 0.3° |
