1Y4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.55Å | 1.55Å | |
| C24 | C23 | sing | 1.55Å | 1.55Å | |
| C25 | N26 | sing | 1.47Å | 1.48Å | |
| C23 | C21 | sing | 1.54Å | 1.53Å | |
| N26 | C21 | sing | 1.49Å | 1.49Å | |
| N26 | C27 | sing | 1.45Å | 1.45Å | |
| C21 | C20 | sing | 1.52Å | 1.52Å | |
| C27 | C28 | sing | 1.55Å | 1.56Å | |
| C20 | N19 | sing | 1.48Å | 1.49Å | |
| C28 | C30 | sing | 1.51Å | 1.51Å | |
| C28 | N19 | sing | 1.47Å | 1.46Å | |
| C30 | O31 | doub | 1.21Å | 1.23Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | OXT | sing | 1.34Å | 29.10Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N19 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 104.4° | 105.0° |
| C24 | C25 | N26 | 105.1° | 106.3° |
| C25 | C24 | H28 | 110.7° | 110.3° |
| C25 | C24 | H29 | 110.7° | 110.4° |
| C24 | C25 | H30 | 110.5° | 110.2° |
| C24 | C25 | H31 | 110.6° | 110.2° |
| C24 | C23 | C21 | 102.8° | 102.0° |
| C24 | C23 | H26 | 111.1° | 110.9° |
| C24 | C23 | H27 | 111.1° | 111.0° |
| C23 | C24 | H28 | 110.7° | 110.8° |
| C23 | C24 | H29 | 110.7° | 109.9° |
| C25 | N26 | C21 | 103.2° | 105.1° |
| C25 | N26 | C27 | 114.1° | 117.9° |
| N26 | C25 | H30 | 110.6° | 109.5° |
| N26 | C25 | H31 | 110.6° | 110.5° |
| C23 | C21 | N26 | 101.6° | 102.7° |
| C23 | C21 | C20 | 114.6° | 113.7° |
| C23 | C21 | H25 | 109.8° | 111.0° |
| C21 | C23 | H26 | 111.1° | 110.9° |
| C21 | C23 | H27 | 111.1° | 110.9° |
| C21 | N26 | C27 | 111.4° | 110.2° |
| N26 | C21 | C20 | 110.2° | 107.1° |
| N26 | C21 | H25 | 110.4° | 111.1° |
| N26 | C27 | C28 | 109.3° | 106.8° |
| N26 | C27 | H33 | 109.5° | 109.9° |
| N26 | C27 | H34 | 109.5° | 109.9° |
| C21 | C20 | N19 | 109.6° | 107.5° |
| C21 | C20 | H23 | 109.4° | 109.9° |
| C21 | C20 | H24 | 109.4° | 109.9° |
| C20 | C21 | H25 | 110.0° | 110.9° |
| C27 | C28 | C30 | 113.8° | 109.2° |
| C27 | C28 | N19 | 114.1° | 111.6° |
| C28 | C27 | H33 | 109.5° | 109.9° |
| C28 | C27 | H34 | 109.5° | 110.6° |
| C27 | C28 | H35 | 106.7° | 109.2° |
| C20 | N19 | C28 | 119.9° | 112.7° |
| N19 | C20 | H23 | 109.4° | 109.8° |
| N19 | C20 | H24 | 109.4° | 109.9° |
| C20 | N19 | H2 | 106.8° | 111.0° |
| C30 | C28 | N19 | 107.1° | 108.0° |
| C28 | C30 | O31 | 122.6° | 120.0° |
| C30 | C28 | H35 | 107.1° | 109.2° |
| C28 | C30 | OXT | 58.0° | 120.0° |
| N19 | C28 | H35 | 107.7° | 109.6° |
| C28 | N19 | H2 | 106.8° | 111.0° |
| O31 | C30 | OXT | 136.2° | 120.0° |
| H23 | C20 | H24 | 109.5° | 109.9° |
| H26 | C23 | H27 | 109.4° | 110.9° |
| H28 | C24 | H29 | 109.5° | 110.4° |
| H30 | C25 | H31 | 109.4° | 110.2° |
| H33 | C27 | H34 | 109.4° | 109.9° |
| C30 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H28 | 119.2° | 119.1° |
| C25 | C24 | C23 | H29 | 119.2° | 118.6° |
| C24 | C25 | N26 | H30 | 119.3° | 119.0° |
| C24 | C25 | N26 | H31 | 119.3° | 119.5° |
| C25 | C24 | C23 | C21 | 18.8° | 22.3° |
| C24 | C25 | N26 | C21 | 36.3° | 29.1° |
| C24 | C25 | N26 | C27 | 157.3° | 152.4° |
| C25 | C24 | C23 | H26 | 100.2° | 140.4° |
| C25 | C24 | C23 | H27 | 137.7° | 95.9° |
| C25 | C24 | H28 | H29 | 122.4° | 122.2° |
| C24 | C25 | H30 | H31 | 122.0° | 121.8° |
| C23 | C24 | C25 | N26 | 10.1° | 3.4° |
| C24 | C23 | C21 | H26 | 119.0° | 118.2° |
| C24 | C23 | C21 | H27 | 118.9° | 118.2° |
| C24 | C23 | C21 | N26 | 41.0° | 39.9° |
| C24 | C23 | C21 | C20 | 159.8° | 155.2° |
| C24 | C23 | C21 | H25 | 75.9° | 78.9° |
| C24 | C23 | H26 | H27 | 123.1° | 123.7° |
| C23 | C24 | H28 | H29 | 122.3° | 122.0° |
| C23 | C24 | C25 | H30 | 109.2° | 115.2° |
| C23 | C24 | C25 | H31 | 129.5° | 123.1° |
| C25 | N26 | C21 | C23 | 48.4° | 43.6° |
| C25 | N26 | C21 | C27 | 122.8° | 128.1° |
| C25 | N26 | C21 | C20 | 170.3° | 163.6° |
| C25 | N26 | C27 | C28 | 176.1° | 176.9° |
| C25 | N26 | C21 | H25 | 68.0° | 75.1° |
| N26 | C25 | C24 | H28 | 109.1° | 122.8° |
| N26 | C25 | C24 | H29 | 129.3° | 114.9° |
| N26 | C25 | H30 | H31 | 122.0° | 121.7° |
| C25 | N26 | C27 | H33 | 56.2° | 64.0° |
| C25 | N26 | C27 | H34 | 63.9° | 56.9° |
| C23 | C21 | N26 | C20 | 121.9° | 120.0° |
| C23 | C21 | N26 | H25 | 116.4° | 118.7° |
| C23 | C21 | N26 | C27 | 171.2° | 171.7° |
| C23 | C21 | C20 | H25 | 124.2° | 125.9° |
| C23 | C21 | C20 | N19 | 166.7° | 175.2° |
| C23 | C21 | C20 | H23 | 46.6° | 65.3° |
| C23 | C21 | C20 | H24 | 73.3° | 55.7° |
| C21 | C23 | H26 | H27 | 123.1° | 123.7° |
| C21 | C23 | C24 | H28 | 138.0° | 96.8° |
| C21 | C23 | C24 | H29 | 100.4° | 140.9° |
| N26 | C21 | C20 | H25 | 121.9° | 121.4° |
| C21 | N26 | C27 | C28 | 59.8° | 62.4° |
| N26 | C21 | C20 | N19 | 52.8° | 62.5° |
| N26 | C21 | C20 | H23 | 67.2° | 178.0° |
| N26 | C21 | C20 | H24 | 172.8° | 57.0° |
| N26 | C21 | C23 | H26 | 78.0° | 158.1° |
| N26 | C21 | C23 | H27 | 159.9° | 78.3° |
| C21 | N26 | C25 | H30 | 83.1° | 89.9° |
| C21 | N26 | C25 | H31 | 155.6° | 148.5° |
| C21 | N26 | C27 | H33 | 60.2° | 56.7° |
| C21 | N26 | C27 | H34 | 179.8° | 177.6° |
| C27 | N26 | C21 | C20 | 66.9° | 68.3° |
| N26 | C27 | C28 | H33 | 120.0° | 119.1° |
| N26 | C27 | C28 | H34 | 120.0° | 119.5° |
| N26 | C27 | C28 | C30 | 79.7° | 64.5° |
| N26 | C27 | C28 | N19 | 43.6° | 54.9° |
| C27 | N26 | C21 | H25 | 54.8° | 53.0° |
| C27 | N26 | C25 | H30 | 38.0° | 33.4° |
| C27 | N26 | C25 | H31 | 83.4° | 88.2° |
| N26 | C27 | H33 | H34 | 120.1° | 121.0° |
| N26 | C27 | C28 | H35 | 162.4° | 176.2° |
| C21 | C20 | N19 | H23 | 120.0° | 119.5° |
| C21 | C20 | N19 | H24 | 120.0° | 119.5° |
| C21 | C20 | N19 | C28 | 40.0° | 57.7° |
| C21 | C20 | H23 | H24 | 119.9° | 121.0° |
| C20 | C21 | C23 | H26 | 40.8° | 86.6° |
| C20 | C21 | C23 | H27 | 81.3° | 37.0° |
| C21 | C20 | N19 | H2 | 161.5° | 177.0° |
| C27 | C28 | N19 | C20 | 35.8° | 54.5° |
| C27 | C28 | C30 | N19 | 127.0° | 121.6° |
| C27 | C28 | C30 | H35 | 117.6° | 119.3° |
| C27 | C28 | N19 | H35 | 118.2° | 121.1° |
| C27 | C28 | C30 | O31 | 109.2° | 114.0° |
| C28 | C27 | H33 | H34 | 120.1° | 121.9° |
| C27 | C28 | C30 | OXT | 123.2° | 66.0° |
| C27 | C28 | N19 | H2 | 157.3° | 179.8° |
| C20 | N19 | C28 | C30 | 91.0° | 65.5° |
| C20 | N19 | C28 | H2 | 121.5° | 125.3° |
| N19 | C20 | H23 | H24 | 119.9° | 120.9° |
| N19 | C20 | C21 | H25 | 69.1° | 58.9° |
| C20 | N19 | C28 | H35 | 154.0° | 175.6° |
| C30 | C28 | N19 | H35 | 115.0° | 118.9° |
| C28 | C30 | O31 | OXT | 76.0° | 180.0° |
| C30 | C28 | C27 | H33 | 160.3° | 176.5° |
| C30 | C28 | C27 | H34 | 40.3° | 55.0° |
| C28 | C30 | OXT | HXT | 90.0° | 180.0° |
| C30 | C28 | N19 | H2 | 30.5° | 59.8° |
| N19 | C28 | C30 | O31 | 17.8° | 7.5° |
| C28 | N19 | C20 | H23 | 80.0° | 177.2° |
| C28 | N19 | C20 | H24 | 160.0° | 61.8° |
| N19 | C28 | C27 | H33 | 76.4° | 64.2° |
| N19 | C28 | C27 | H34 | 163.5° | 174.4° |
| N19 | C28 | C30 | OXT | 109.8° | 172.4° |
| O31 | C30 | C28 | H35 | 133.2° | 126.7° |
| O31 | C30 | OXT | HXT | 90.0° | 0.1° |
| H23 | C20 | C21 | H25 | 170.8° | 60.6° |
| H23 | C20 | N19 | H2 | 41.4° | 57.5° |
| H24 | C20 | C21 | H25 | 50.9° | 178.4° |
| H24 | C20 | N19 | H2 | 78.5° | 63.4° |
| H25 | C21 | C23 | H26 | 165.2° | 39.3° |
| H25 | C21 | C23 | H27 | 43.1° | 162.9° |
| H26 | C23 | C24 | H28 | 19.0° | 21.3° |
| H26 | C23 | C24 | H29 | 140.7° | 101.0° |
| H27 | C23 | C24 | H28 | 103.1° | 145.0° |
| H27 | C23 | C24 | H29 | 18.6° | 22.7° |
| H28 | C24 | C25 | H30 | 131.6° | 4.3° |
| H28 | C24 | C25 | H31 | 10.3° | 117.5° |
| H29 | C24 | C25 | H30 | 10.0° | 126.5° |
| H29 | C24 | C25 | H31 | 111.4° | 4.8° |
| H33 | C27 | C28 | H35 | 42.4° | 57.1° |
| H34 | C27 | C28 | H35 | 77.6° | 64.3° |
| H35 | C28 | C30 | OXT | 5.6° | 53.3° |
| H35 | C28 | N19 | H2 | 84.5° | 59.1° |
