HCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| OXT | C | sing | 1.34Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| S5' | CG | sing | 1.81Å | 1.85Å | |
| S5' | C5' | sing | 1.81Å | 1.81Å | |
| C2 | N1 | doub | 1.32Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.31Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C5' | C4' | sing | 1.53Å | 1.56Å | |
| C3' | C2' | sing | 1.54Å | 1.55Å | |
| C3' | C4' | sing | 1.54Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| N3 | C4 | doub | 1.34Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.35Å | |
| C6 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C2' | N1' | sing | 1.49Å | 1.50Å | |
| C4' | C1' | sing | 1.54Å | 1.50Å | |
| C4 | C5 | sing | 1.41Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.46Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.37Å | 1.35Å | Aromatic |
| C1' | N1' | sing | 1.49Å | 1.51Å | |
| N1' | C10 | sing | 1.47Å | 1.44Å | |
| C9 | C10 | sing | 1.51Å | 1.59Å | |
| C9 | C8 | doub | 1.35Å | 1.34Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.32Å | Aromatic |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| C1' | H13 | sing | 1.09Å | 1.10Å | |
| C1' | H14 | sing | 1.09Å | 1.10Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.08Å | 1.08Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 125.3° | 120.0° |
| O | C | CA | 118.6° | 120.0° |
| OXT | C | CA | 116.1° | 120.0° |
| C | OXT | H1 | 109.5° | 117.0° |
| C | CA | CB | 108.1° | 109.4° |
| C | CA | N | 110.1° | 109.5° |
| C | CA | H2 | 108.7° | 109.5° |
| CA | CB | CG | 105.4° | 109.4° |
| CB | CA | N | 111.4° | 109.5° |
| CB | CA | H2 | 108.9° | 109.5° |
| CA | CB | H6 | 110.5° | 109.5° |
| CA | CB | H7 | 110.5° | 109.5° |
| CB | CG | S5' | 108.9° | 109.5° |
| CG | CB | H6 | 110.5° | 109.5° |
| CG | CB | H7 | 110.5° | 109.5° |
| CB | CG | H8 | 109.6° | 109.5° |
| CB | CG | H9 | 109.6° | 109.5° |
| N | CA | H2 | 109.5° | 109.5° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.4° | 111.0° |
| CG | S5' | C5' | 101.2° | 103.0° |
| S5' | CG | H8 | 109.6° | 109.5° |
| S5' | CG | H9 | 109.6° | 109.4° |
| S5' | C5' | C4' | 109.2° | 109.5° |
| S5' | C5' | H10 | 109.5° | 109.5° |
| S5' | C5' | H11 | 109.6° | 109.5° |
| N1 | C2 | N3 | 119.5° | 122.3° |
| C2 | N1 | C6 | 118.9° | 121.4° |
| N1 | C2 | H24 | 120.3° | 118.8° |
| C2 | N3 | C4 | 119.5° | 120.4° |
| N3 | C2 | H24 | 120.2° | 118.8° |
| N1 | C6 | N6 | 117.8° | 120.7° |
| N1 | C6 | C5 | 121.8° | 118.6° |
| C5' | C4' | C3' | 113.6° | 110.3° |
| C5' | C4' | C1' | 108.7° | 110.3° |
| C4' | C5' | H10 | 109.6° | 109.5° |
| C4' | C5' | H11 | 109.5° | 109.5° |
| C5' | C4' | H12 | 109.7° | 110.3° |
| C2' | C3' | C4' | 105.6° | 105.1° |
| C2' | C3' | O3' | 110.2° | 110.3° |
| C3' | C2' | N1' | 96.1° | 104.6° |
| C2' | C3' | H15 | 109.6° | 110.4° |
| C3' | C2' | H17 | 112.7° | 110.5° |
| C3' | C2' | H18 | 112.7° | 110.4° |
| C4' | C3' | O3' | 110.2° | 110.3° |
| C3' | C4' | C1' | 103.9° | 105.0° |
| C3' | C4' | H12 | 110.4° | 110.4° |
| C4' | C3' | H15 | 110.3° | 110.3° |
| O3' | C3' | H15 | 110.9° | 110.4° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| N3 | C4 | C5 | 120.5° | 119.2° |
| N3 | C4 | C9 | 131.4° | 134.9° |
| N6 | C6 | C5 | 120.4° | 120.7° |
| C6 | N6 | H25 | 109.5° | 120.0° |
| C6 | N6 | H26 | 109.5° | 120.0° |
| C6 | C5 | C4 | 119.7° | 118.1° |
| C6 | C5 | N7 | 134.3° | 134.6° |
| C2' | N1' | C1' | 109.0° | 104.2° |
| C2' | N1' | C10 | 118.6° | 111.0° |
| N1' | C2' | H17 | 112.7° | 110.4° |
| N1' | C2' | H18 | 112.7° | 110.3° |
| C4' | C1' | N1' | 104.9° | 104.6° |
| C1' | C4' | H12 | 110.4° | 110.3° |
| C4' | C1' | H13 | 110.6° | 110.4° |
| C4' | C1' | H14 | 110.6° | 110.4° |
| C5 | C4 | C9 | 108.1° | 106.0° |
| C4 | C5 | N7 | 106.0° | 107.3° |
| C4 | C9 | C10 | 127.3° | 126.5° |
| C4 | C9 | C8 | 108.1° | 107.0° |
| C5 | N7 | C8 | 109.8° | 109.8° |
| C5 | N7 | H23 | 125.1° | 125.1° |
| C1' | N1' | C10 | 112.7° | 111.0° |
| N1' | C1' | H13 | 110.6° | 110.4° |
| N1' | C1' | H14 | 110.6° | 110.4° |
| N1' | C10 | C9 | 117.7° | 109.5° |
| N1' | C10 | H20 | 107.4° | 109.4° |
| N1' | C10 | H21 | 107.4° | 109.4° |
| C10 | C9 | C8 | 124.6° | 126.5° |
| C9 | C10 | H20 | 107.4° | 109.5° |
| C9 | C10 | H21 | 107.4° | 109.5° |
| C9 | C8 | N7 | 107.9° | 109.9° |
| C9 | C8 | H22 | 126.0° | 125.0° |
| N7 | C8 | H22 | 126.1° | 125.1° |
| C8 | N7 | H23 | 125.1° | 125.0° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.5° | 109.5° |
| H10 | C5' | H11 | 109.5° | 109.5° |
| H13 | C1' | H14 | 109.5° | 110.5° |
| H17 | C2' | H18 | 109.5° | 110.5° |
| H20 | C10 | H21 | 109.5° | 109.5° |
| H25 | N6 | H26 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 177.1° | 179.7° |
| O | C | CA | CB | 92.0° | 100.0° |
| O | C | CA | N | 29.9° | 20.0° |
| O | C | OXT | H1 | 0.0° | 0.0° |
| O | C | CA | H2 | 149.9° | 140.0° |
| OXT | C | CA | CB | 90.7° | 80.3° |
| OXT | C | CA | N | 147.4° | 159.7° |
| OXT | C | CA | H2 | 27.4° | 39.7° |
| C | CA | CB | N | 121.1° | 120.0° |
| C | CA | CB | H2 | 118.0° | 120.0° |
| C | CA | CB | CG | 161.5° | 175.0° |
| C | CA | N | H2 | 119.5° | 120.0° |
| CA | C | OXT | H1 | 177.1° | 179.7° |
| C | CA | N | H3 | 180.0° | 60.0° |
| C | CA | N | H4 | 60.0° | 176.1° |
| C | CA | CB | H6 | 79.1° | 65.0° |
| C | CA | CB | H7 | 42.2° | 55.0° |
| CA | CB | CG | H6 | 119.4° | 120.0° |
| CA | CB | CG | H7 | 119.3° | 120.0° |
| CB | CA | N | H2 | 120.6° | 120.0° |
| CA | CB | CG | S5' | 174.2° | 180.0° |
| CB | CA | N | H3 | 60.1° | 60.0° |
| CB | CA | N | H4 | 179.9° | 64.0° |
| CA | CB | H6 | H7 | 121.9° | 120.0° |
| CA | CB | CG | H8 | 54.3° | 60.0° |
| CA | CB | CG | H9 | 65.9° | 60.0° |
| CG | CB | CA | N | 77.4° | 65.0° |
| CB | CG | S5' | H8 | 119.9° | 120.0° |
| CB | CG | S5' | H9 | 119.9° | 120.0° |
| CB | CG | S5' | C5' | 149.0° | 180.0° |
| CG | CB | CA | H2 | 43.6° | 55.0° |
| CG | CB | H6 | H7 | 121.9° | 120.0° |
| CB | CG | H8 | H9 | 120.2° | 120.0° |
| CA | N | H3 | H4 | 120.0° | 123.9° |
| N | CA | CB | H6 | 41.9° | 55.0° |
| N | CA | CB | H7 | 163.3° | 175.0° |
| CG | S5' | C5' | C4' | 82.4° | 180.0° |
| S5' | CG | CB | H6 | 66.4° | 60.0° |
| S5' | CG | CB | H7 | 54.9° | 60.0° |
| S5' | CG | H8 | H9 | 120.2° | 120.0° |
| CG | S5' | C5' | H10 | 37.5° | 60.0° |
| CG | S5' | C5' | H11 | 157.7° | 60.0° |
| S5' | C5' | C4' | H10 | 119.9° | 120.0° |
| S5' | C5' | C4' | H11 | 120.0° | 120.0° |
| S5' | C5' | C4' | C3' | 69.7° | 177.9° |
| S5' | C5' | C4' | C1' | 175.2° | 66.5° |
| C5' | S5' | CG | H8 | 91.1° | 60.0° |
| C5' | S5' | CG | H9 | 29.1° | 60.0° |
| S5' | C5' | H10 | H11 | 120.2° | 120.0° |
| S5' | C5' | C4' | H12 | 54.4° | 55.7° |
| N1 | C2 | N3 | H24 | 180.0° | 179.8° |
| N1 | C2 | N3 | C4 | 1.1° | 0.0° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| C2 | N1 | C6 | C5 | 2.7° | 0.4° |
| N3 | C2 | N1 | C6 | 2.5° | 0.2° |
| C2 | N3 | C4 | C5 | 0.2° | 0.1° |
| C2 | N3 | C4 | C9 | 178.8° | 179.5° |
| N1 | C6 | N6 | C5 | 178.1° | 179.6° |
| N1 | C6 | C5 | C4 | 1.5° | 0.4° |
| N1 | C6 | C5 | N7 | 176.9° | 179.9° |
| C6 | N1 | C2 | H24 | 177.5° | 180.0° |
| N1 | C6 | N6 | H25 | 0.0° | 0.1° |
| N1 | C6 | N6 | H26 | 120.0° | 180.0° |
| C5' | C4' | C3' | C2' | 83.1° | 118.9° |
| C5' | C4' | C3' | C1' | 117.9° | 118.9° |
| C5' | C4' | C3' | H12 | 123.7° | 122.2° |
| C5' | C4' | C3' | O3' | 157.9° | 122.3° |
| C5' | C4' | C1' | H12 | 120.3° | 122.1° |
| C5' | C4' | C1' | N1' | 111.5° | 142.7° |
| C4' | C5' | H10 | H11 | 120.1° | 120.0° |
| C5' | C4' | C1' | H13 | 129.2° | 98.5° |
| C5' | C4' | C1' | H14 | 7.7° | 24.0° |
| C5' | C4' | C3' | H15 | 35.2° | 0.1° |
| C2' | C3' | C4' | O3' | 118.9° | 118.9° |
| C2' | C3' | C4' | H15 | 118.3° | 118.9° |
| C2' | C3' | O3' | H15 | 121.5° | 122.2° |
| C3' | C2' | N1' | H17 | 117.7° | 118.8° |
| C3' | C2' | N1' | H18 | 117.7° | 118.8° |
| C2' | C3' | C4' | C1' | 34.8° | 0.0° |
| C3' | C2' | N1' | C1' | 38.5° | 39.5° |
| C3' | C2' | N1' | C10 | 169.3° | 159.0° |
| C2' | C3' | C4' | H12 | 153.2° | 119.0° |
| C2' | C3' | O3' | H16 | 180.0° | 61.5° |
| C3' | C2' | H17 | H18 | 126.3° | 122.5° |
| C4' | C3' | O3' | H15 | 122.4° | 122.2° |
| C4' | C3' | C2' | N1' | 44.4° | 23.9° |
| C3' | C4' | C1' | H12 | 118.4° | 119.0° |
| C3' | C4' | C1' | N1' | 9.8° | 23.9° |
| C3' | C4' | C5' | H10 | 170.4° | 62.0° |
| C3' | C4' | C5' | H11 | 50.3° | 58.0° |
| C3' | C4' | C1' | H13 | 109.5° | 142.6° |
| C3' | C4' | C1' | H14 | 129.0° | 94.9° |
| C4' | C3' | O3' | H16 | 63.9° | 177.1° |
| C4' | C3' | C2' | H17 | 73.3° | 94.9° |
| C4' | C3' | C2' | H18 | 162.1° | 142.6° |
| O3' | C3' | C2' | N1' | 74.5° | 95.0° |
| O3' | C3' | C4' | C1' | 84.1° | 118.9° |
| O3' | C3' | C4' | H12 | 34.2° | 0.1° |
| O3' | C3' | C2' | H17 | 167.7° | 146.2° |
| O3' | C3' | C2' | H18 | 43.2° | 23.7° |
| N3 | C4 | C5 | C6 | 0.0° | 0.2° |
| N3 | C4 | C5 | C9 | 179.2° | 179.6° |
| N3 | C4 | C5 | N7 | 178.8° | 180.0° |
| N3 | C4 | C9 | C10 | 2.7° | 0.4° |
| N3 | C4 | C9 | C8 | 179.9° | 179.9° |
| C4 | N3 | C2 | H24 | 178.9° | 179.8° |
| N6 | C6 | C5 | C4 | 179.4° | 180.0° |
| N6 | C6 | C5 | N7 | 1.1° | 0.4° |
| C6 | N6 | H25 | H26 | 120.0° | 179.9° |
| C6 | C5 | C4 | N7 | 178.8° | 179.7° |
| C6 | C5 | C4 | C9 | 179.2° | 179.8° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C6 | C5 | N7 | H23 | 0.2° | 0.1° |
| C5 | C6 | N6 | H25 | 178.1° | 179.6° |
| C5 | C6 | N6 | H26 | 61.9° | 0.5° |
| C2' | N1' | C1' | C4' | 19.6° | 39.5° |
| C2' | N1' | C1' | C10 | 133.9° | 119.6° |
| C2' | N1' | C10 | C9 | 69.2° | 74.6° |
| C2' | N1' | C1' | H13 | 138.9° | 158.3° |
| C2' | N1' | C1' | H14 | 99.7° | 79.3° |
| N1' | C2' | C3' | H15 | 163.2° | 142.8° |
| N1' | C2' | H17 | H18 | 126.3° | 122.3° |
| C2' | N1' | C10 | H20 | 51.9° | 165.4° |
| C2' | N1' | C10 | H21 | 169.6° | 45.4° |
| C4' | C1' | N1' | H13 | 119.3° | 118.8° |
| C4' | C1' | N1' | H14 | 119.3° | 118.7° |
| C4' | C1' | N1' | C10 | 153.5° | 159.0° |
| C1' | C4' | C5' | H10 | 55.2° | 53.5° |
| C1' | C4' | C5' | H11 | 64.9° | 173.5° |
| C4' | C1' | H13 | H14 | 122.1° | 122.4° |
| C1' | C4' | C3' | H15 | 153.1° | 118.9° |
| C5 | C4 | C9 | C10 | 178.2° | 179.9° |
| C5 | C4 | C9 | C8 | 1.0° | 0.4° |
| C4 | C5 | N7 | C8 | 1.8° | 0.3° |
| C4 | C5 | N7 | H23 | 178.3° | 179.8° |
| C9 | C4 | C5 | N7 | 0.4° | 0.4° |
| C4 | C9 | C10 | N1' | 72.8° | 79.7° |
| C4 | C9 | C10 | C8 | 176.7° | 179.6° |
| C4 | C9 | C8 | N7 | 2.1° | 0.3° |
| C4 | C9 | C10 | H20 | 48.4° | 40.3° |
| C4 | C9 | C10 | H21 | 166.0° | 160.4° |
| C4 | C9 | C8 | H22 | 177.9° | 179.8° |
| C5 | N7 | C8 | C9 | 2.4° | 0.0° |
| C5 | N7 | C8 | H23 | 180.0° | 180.0° |
| C5 | N7 | C8 | H22 | 177.6° | 179.9° |
| C1' | N1' | C10 | C9 | 59.9° | 170.0° |
| N1' | C1' | C4' | H12 | 128.2° | 95.1° |
| N1' | C1' | H13 | H14 | 122.1° | 122.4° |
| C1' | N1' | C2' | H17 | 79.2° | 79.3° |
| C1' | N1' | C2' | H18 | 156.3° | 158.2° |
| C1' | N1' | C10 | H20 | 178.9° | 50.0° |
| C1' | N1' | C10 | H21 | 61.3° | 70.0° |
| N1' | C10 | C9 | H20 | 121.2° | 120.0° |
| N1' | C10 | C9 | H21 | 121.2° | 120.0° |
| N1' | C10 | C9 | C8 | 110.5° | 99.9° |
| C10 | N1' | C1' | H13 | 87.2° | 82.2° |
| C10 | N1' | C1' | H14 | 34.2° | 40.3° |
| C10 | N1' | C2' | H17 | 51.6° | 40.2° |
| C10 | N1' | C2' | H18 | 72.9° | 82.2° |
| N1' | C10 | H20 | H21 | 116.3° | 119.9° |
| C10 | C9 | C8 | N7 | 179.4° | 179.9° |
| C9 | C10 | H20 | H21 | 116.3° | 120.1° |
| C10 | C9 | C8 | H22 | 0.6° | 0.1° |
| C9 | C8 | N7 | H22 | 180.0° | 179.9° |
| C8 | C9 | C10 | H20 | 128.3° | 140.1° |
| C8 | C9 | C10 | H21 | 10.7° | 20.0° |
| C9 | C8 | N7 | H23 | 177.6° | 179.9° |
| H2 | CA | N | H3 | 60.5° | 180.0° |
| H2 | CA | N | H4 | 59.5° | 56.0° |
| H2 | CA | CB | H6 | 162.9° | 175.0° |
| H2 | CA | CB | H7 | 75.8° | 65.0° |
| H6 | CB | CG | H8 | 173.7° | 180.0° |
| H6 | CB | CG | H9 | 53.5° | 60.0° |
| H7 | CB | CG | H8 | 65.0° | 60.0° |
| H7 | CB | CG | H9 | 174.8° | NaN° |
| H10 | C5' | C4' | H12 | 65.5° | 175.7° |
| H11 | C5' | C4' | H12 | 174.4° | 64.3° |
| H12 | C4' | C1' | H13 | 8.9° | 23.6° |
| H12 | C4' | C1' | H14 | 112.6° | 146.1° |
| H12 | C4' | C3' | H15 | 88.5° | 122.1° |
| H15 | C3' | O3' | H16 | 58.5° | 60.7° |
| H15 | C3' | C2' | H17 | 45.5° | 24.0° |
| H15 | C3' | C2' | H18 | 79.1° | 98.5° |
| H22 | C8 | N7 | H23 | 2.4° | 0.0° |
