E0Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | N15 | doub | 1.29Å | 1.29Å | |
| C15 | N12 | sing | 1.37Å | 1.44Å | |
| N12 | C11 | sing | 1.47Å | 1.43Å | |
| N12 | C13 | sing | 1.47Å | 1.21Å | |
| C11 | C10 | sing | 1.54Å | 1.64Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C13 | C14 | sing | 1.55Å | 1.49Å | |
| OXT | C | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C14 | C10 | sing | 1.55Å | 1.43Å | |
| C10 | S2 | sing | 1.81Å | 1.76Å | |
| CA | CB | sing | 1.54Å | 1.33Å | |
| CA | N | sing | 1.49Å | 1.38Å | |
| S2 | CB | sing | 1.81Å | 1.88Å | |
| CB | CG | sing | 1.54Å | 1.48Å | |
| N | CD | sing | 1.48Å | 1.40Å | |
| O14 | C7 | sing | 1.43Å | 1.24Å | |
| CG | CD | sing | 1.54Å | 1.42Å | |
| CD | C6 | sing | 1.53Å | 1.37Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | O8 | sing | 1.43Å | 1.41Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| O14 | H11 | sing | 0.97Å | 0.95Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| N15 | H27 | sing | 0.97Å | 1.00Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | N15 | 121.3° | 120.1° |
| C16 | C15 | N12 | 117.7° | 120.0° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C15 | C16 | H22 | 109.5° | 109.5° |
| N15 | C15 | N12 | 121.0° | 120.0° |
| C15 | N15 | H27 | 112.0° | 120.1° |
| C15 | N12 | C11 | 123.2° | 125.7° |
| C15 | N12 | C13 | 121.1° | 125.7° |
| C11 | N12 | C13 | 115.7° | 108.7° |
| N12 | C11 | C10 | 101.7° | 107.3° |
| N12 | C11 | H1 | 111.4° | 109.9° |
| N12 | C11 | H2 | 111.4° | 110.0° |
| N12 | C13 | C14 | 108.5° | 104.8° |
| N12 | C13 | H16 | 109.7° | 110.3° |
| N12 | C13 | H17 | 109.7° | 110.5° |
| C11 | C10 | C14 | 97.4° | 102.9° |
| C11 | C10 | S2 | 110.6° | 110.8° |
| C10 | C11 | H1 | 111.4° | 109.9° |
| C10 | C11 | H2 | 111.4° | 109.8° |
| C11 | C10 | H15 | 113.2° | 110.7° |
| O | C | OXT | 121.1° | 120.0° |
| O | C | CA | 120.1° | 120.0° |
| C13 | C14 | C10 | 107.4° | 101.6° |
| C14 | C13 | H16 | 109.7° | 110.4° |
| C14 | C13 | H17 | 109.7° | 110.4° |
| C13 | C14 | H18 | 110.0° | 111.0° |
| C13 | C14 | H19 | 110.0° | 111.0° |
| OXT | C | CA | 118.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | CB | 127.2° | 110.4° |
| C | CA | N | 128.3° | 110.4° |
| C | CA | HA | 90.7° | 110.4° |
| C14 | C10 | S2 | 106.3° | 110.7° |
| C14 | C10 | H15 | 116.8° | 110.8° |
| C10 | C14 | H18 | 110.0° | 111.0° |
| C10 | C14 | H19 | 110.0° | 111.0° |
| C10 | S2 | CB | 108.4° | 103.0° |
| S2 | C10 | H15 | 111.6° | 110.7° |
| CB | CA | N | 104.5° | 104.6° |
| CA | CB | S2 | 127.3° | 110.3° |
| CA | CB | CG | 111.0° | 105.0° |
| CB | CA | HA | 90.8° | 110.4° |
| CA | CB | HB2 | 91.3° | 110.3° |
| CA | N | CD | 107.5° | 104.2° |
| N | CA | HA | 90.7° | 110.3° |
| CA | N | H | 110.0° | 111.0° |
| S2 | CB | CG | 121.6° | 110.4° |
| S2 | CB | HB2 | 91.0° | 110.4° |
| CB | CG | CD | 97.8° | 105.1° |
| CG | CB | HB2 | 91.2° | 110.3° |
| CB | CG | HG2 | 112.3° | 110.3° |
| CB | CG | HG3 | 112.3° | 110.3° |
| N | CD | CG | 110.5° | 104.6° |
| N | CD | C6 | 109.1° | 110.4° |
| CD | N | H | 110.0° | 111.0° |
| N | CD | HD2 | 110.2° | 110.4° |
| O14 | C7 | C6 | 114.2° | 109.5° |
| O14 | C7 | H9 | 108.2° | 109.5° |
| O14 | C7 | H10 | 108.3° | 109.5° |
| C7 | O14 | H11 | 109.5° | 114.0° |
| CG | CD | C6 | 106.3° | 110.4° |
| CG | CD | HD2 | 110.0° | 110.5° |
| CD | CG | HG2 | 112.3° | 110.3° |
| CD | CG | HG3 | 112.3° | 110.3° |
| CD | C6 | C7 | 114.9° | 109.5° |
| CD | C6 | C8 | 125.5° | 109.5° |
| C6 | CD | HD2 | 110.7° | 110.3° |
| CD | C6 | H8 | 96.8° | 109.5° |
| C7 | C6 | C8 | 116.0° | 109.5° |
| C7 | C6 | H8 | 96.2° | 109.4° |
| C6 | C7 | H9 | 108.3° | 109.5° |
| C6 | C7 | H10 | 108.3° | 109.4° |
| C6 | C8 | O8 | 106.9° | 109.5° |
| C6 | C8 | C9 | 116.0° | 109.4° |
| C8 | C6 | H8 | 96.1° | 109.5° |
| C6 | C8 | H23 | 107.1° | 109.5° |
| O8 | C8 | C9 | 110.5° | 109.5° |
| O8 | C8 | H23 | 108.7° | 109.5° |
| C8 | O8 | H28 | 109.5° | 114.0° |
| C9 | C8 | H23 | 107.4° | 109.5° |
| C8 | C9 | H24 | 109.5° | 109.4° |
| C8 | C9 | H25 | 109.5° | 109.4° |
| C8 | C9 | H26 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.9° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| HG2 | CG | HG3 | 109.5° | 110.3° |
| H16 | C13 | H17 | 109.4° | 110.3° |
| H18 | C14 | H19 | 109.5° | 111.0° |
| H20 | C16 | H21 | 109.4° | 109.5° |
| H20 | C16 | H22 | 109.5° | 109.4° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.5° |
| H24 | C9 | H26 | 109.4° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | N15 | N12 | 178.6° | 180.0° |
| C16 | C15 | N12 | C11 | 68.9° | 180.0° |
| C16 | C15 | N12 | C13 | 109.0° | 0.1° |
| C15 | C16 | H20 | H21 | 120.0° | 120.0° |
| C15 | C16 | H20 | H22 | 120.0° | 120.0° |
| C15 | C16 | H21 | H22 | 120.0° | 120.0° |
| C16 | C15 | N15 | H27 | 178.6° | 180.0° |
| N15 | C15 | N12 | C11 | 112.5° | 0.1° |
| N15 | C15 | N12 | C13 | 69.6° | 179.9° |
| N15 | C15 | C16 | H20 | 180.0° | 90.0° |
| N15 | C15 | C16 | H21 | 60.0° | 150.0° |
| N15 | C15 | C16 | H22 | 60.0° | 30.0° |
| C15 | N12 | C11 | C13 | 178.0° | 179.9° |
| C15 | N12 | C11 | C10 | 173.9° | 179.0° |
| C15 | N12 | C13 | C14 | 167.3° | 155.9° |
| C15 | N12 | C11 | H1 | 55.2° | 61.6° |
| C15 | N12 | C11 | H2 | 67.4° | 59.5° |
| C15 | N12 | C13 | H16 | 47.5° | 37.1° |
| C15 | N12 | C13 | H17 | 72.8° | 85.1° |
| N12 | C15 | C16 | H20 | 1.4° | 90.0° |
| N12 | C15 | C16 | H21 | 121.4° | 30.0° |
| N12 | C15 | C16 | H22 | 118.6° | 150.0° |
| N12 | C15 | N15 | H27 | 0.0° | 0.0° |
| N12 | C11 | C10 | H1 | 118.7° | 119.5° |
| N12 | C11 | C10 | H2 | 118.7° | 119.6° |
| C11 | N12 | C13 | C14 | 10.7° | 24.2° |
| N12 | C11 | C10 | C14 | 23.1° | 22.2° |
| N12 | C11 | C10 | S2 | 87.5° | 140.5° |
| N12 | C11 | H1 | H2 | 123.6° | 121.2° |
| N12 | C11 | C10 | H15 | 146.5° | 96.3° |
| C11 | N12 | C13 | H16 | 130.5° | 143.0° |
| C11 | N12 | C13 | H17 | 109.2° | 94.8° |
| C13 | N12 | C11 | C10 | 8.1° | 1.1° |
| N12 | C13 | C14 | H16 | 119.9° | 118.8° |
| N12 | C13 | C14 | H17 | 119.9° | 119.0° |
| N12 | C13 | C14 | C10 | 28.2° | 37.0° |
| C13 | N12 | C11 | H1 | 126.9° | 118.3° |
| C13 | N12 | C11 | H2 | 110.6° | 120.6° |
| N12 | C13 | H16 | H17 | 120.5° | 122.4° |
| N12 | C13 | C14 | H18 | 91.5° | 81.0° |
| N12 | C13 | C14 | H19 | 147.8° | 155.1° |
| C11 | C10 | C14 | C13 | 29.3° | 35.5° |
| C11 | C10 | C14 | S2 | 114.0° | 118.4° |
| C11 | C10 | C14 | H15 | 120.7° | 118.4° |
| C11 | C10 | S2 | H15 | 126.9° | 123.2° |
| C11 | C10 | S2 | CB | 95.8° | 171.0° |
| C10 | C11 | H1 | H2 | 123.6° | 121.0° |
| C11 | C10 | C14 | H18 | 90.3° | 82.6° |
| C11 | C10 | C14 | H19 | 149.0° | 153.6° |
| O | C | OXT | CA | 179.4° | 179.9° |
| O | C | CA | CB | 112.7° | 94.7° |
| O | C | CA | N | 70.3° | 20.5° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | HA | 21.2° | 142.9° |
| C13 | C14 | C10 | H18 | 119.7° | 118.1° |
| C13 | C14 | C10 | H19 | 119.7° | 118.1° |
| C13 | C14 | C10 | S2 | 84.7° | 153.9° |
| C13 | C14 | C10 | H15 | 150.0° | 82.9° |
| C14 | C13 | H16 | H17 | 120.4° | 122.2° |
| C13 | C14 | H18 | H19 | 121.0° | 123.9° |
| OXT | C | CA | CB | 66.7° | 85.3° |
| OXT | C | CA | N | 110.3° | 159.5° |
| OXT | C | CA | HA | 158.2° | 37.2° |
| C | CA | CB | N | 177.6° | 118.8° |
| C | CA | CB | HA | 91.4° | 122.5° |
| C | CA | N | HA | 91.4° | 122.4° |
| C | CA | CB | S2 | 36.6° | 98.5° |
| C | CA | CB | CG | 147.4° | 142.6° |
| C | CA | N | CD | 159.0° | 158.3° |
| CA | C | OXT | HXT | 179.4° | 180.0° |
| C | CA | N | H | 81.3° | 82.1° |
| C | CA | CB | HB2 | 55.6° | 23.8° |
| C14 | C10 | S2 | H15 | 128.4° | 123.3° |
| C14 | C10 | S2 | CB | 159.5° | 75.5° |
| C14 | C10 | C11 | H1 | 141.8° | 141.6° |
| C14 | C10 | C11 | H2 | 95.6° | 97.4° |
| C10 | C14 | C13 | H16 | 148.0° | 155.8° |
| C10 | C14 | C13 | H17 | 91.7° | 82.0° |
| C10 | C14 | H18 | H19 | 120.9° | 123.9° |
| C10 | S2 | CB | CA | 49.9° | 170.2° |
| C10 | S2 | CB | CG | 134.5° | 74.2° |
| S2 | C10 | C11 | H1 | 31.3° | 100.0° |
| S2 | C10 | C11 | H2 | 153.8° | 21.0° |
| C10 | S2 | CB | HB2 | 42.5° | 48.1° |
| S2 | C10 | C14 | H18 | 155.6° | 35.8° |
| S2 | C10 | C14 | H19 | 34.9° | 88.1° |
| CB | CA | N | HA | 91.0° | 118.8° |
| CA | CB | S2 | CG | 175.6° | 115.6° |
| CA | CB | S2 | HB2 | 92.4° | 122.1° |
| CA | CB | CG | HB2 | 91.9° | 118.8° |
| CB | CA | N | CD | 18.6° | 39.4° |
| CA | CB | CG | CD | 28.5° | 0.0° |
| CB | CA | N | H | 101.1° | 159.1° |
| CA | CB | CG | HG2 | 89.6° | 118.9° |
| CA | CB | CG | HG3 | 146.5° | 118.9° |
| N | CA | CB | S2 | 145.8° | 142.7° |
| N | CA | CB | CG | 30.2° | 23.8° |
| CA | N | CD | H | 119.7° | 119.6° |
| CA | N | CD | CG | 0.5° | 39.4° |
| CA | N | CD | C6 | 116.0° | 158.2° |
| CA | N | CD | HD2 | 122.3° | 79.5° |
| N | CA | CB | HB2 | 122.0° | 95.1° |
| S2 | CB | CG | HB2 | 91.9° | 122.3° |
| S2 | CB | CG | CD | 147.8° | 118.8° |
| S2 | CB | CA | HA | 54.9° | 24.0° |
| S2 | CB | CG | HG2 | 94.1° | 0.1° |
| S2 | CB | CG | HG3 | 29.7° | 122.2° |
| CB | S2 | C10 | H15 | 31.1° | 47.8° |
| CB | CG | CD | N | 15.6° | 23.8° |
| CB | CG | CD | HG2 | 118.0° | 118.9° |
| CB | CG | CD | HG3 | 118.0° | 118.9° |
| CB | CG | CD | C6 | 133.8° | 142.6° |
| CG | CB | CA | HA | 121.1° | 94.9° |
| CB | CG | CD | HD2 | 106.3° | 95.0° |
| CB | CG | HG2 | HG3 | 125.4° | 122.2° |
| N | CD | CG | C6 | 118.2° | 118.8° |
| N | CD | CG | HD2 | 121.9° | 118.9° |
| N | CD | C6 | HD2 | 121.3° | 122.4° |
| N | CD | C6 | C7 | 15.7° | 54.9° |
| N | CD | C6 | C8 | 173.1° | 174.9° |
| CD | N | CA | HA | 109.6° | 79.3° |
| N | CD | C6 | H8 | 84.4° | 65.1° |
| N | CD | CG | HG2 | 102.5° | 142.7° |
| N | CD | CG | HG3 | 133.6° | 95.1° |
| O14 | C7 | C6 | CD | 81.2° | 66.5° |
| O14 | C7 | C6 | H9 | 120.7° | 120.1° |
| O14 | C7 | C6 | H10 | 120.7° | 120.0° |
| O14 | C7 | C6 | C8 | 119.1° | 173.5° |
| O14 | C7 | C6 | H8 | 19.2° | 53.5° |
| O14 | C7 | H9 | H10 | 117.8° | 120.0° |
| CG | CD | C6 | HD2 | 119.4° | 122.4° |
| CG | CD | C6 | C7 | 134.9° | 170.1° |
| CG | CD | C6 | C8 | 67.7° | 69.9° |
| CG | CD | N | H | 119.2° | 159.1° |
| CG | CD | C6 | H8 | 34.8° | 50.1° |
| CD | CG | CB | HB2 | 120.3° | 118.8° |
| CD | CG | HG2 | HG3 | 125.5° | 122.2° |
| CD | C6 | C7 | C8 | 159.6° | 120.0° |
| CD | C6 | C7 | H8 | 100.5° | 120.0° |
| CD | C6 | C8 | H8 | 102.9° | 120.1° |
| CD | C6 | C8 | O8 | 174.0° | 53.3° |
| CD | C6 | C8 | C9 | 50.3° | 66.7° |
| C6 | CD | N | H | 124.3° | 82.2° |
| CD | C6 | C7 | H9 | 39.4° | 173.4° |
| CD | C6 | C7 | H10 | 158.0° | 53.5° |
| C6 | CD | CG | HG2 | 15.8° | 98.5° |
| C6 | CD | CG | HG3 | 108.2° | 23.7° |
| CD | C6 | C8 | H23 | 69.6° | 173.3° |
| C7 | C6 | C8 | H8 | 100.0° | 120.0° |
| C7 | C6 | C8 | O8 | 16.8° | 66.7° |
| C7 | C6 | C8 | C9 | 106.9° | 173.3° |
| C7 | C6 | CD | HD2 | 105.6° | 67.5° |
| C6 | C7 | H9 | H10 | 117.9° | 119.9° |
| C6 | C7 | O14 | H11 | 180.0° | 180.0° |
| C7 | C6 | C8 | H23 | 133.3° | 53.4° |
| C6 | C8 | O8 | C9 | 127.0° | 120.0° |
| C6 | C8 | O8 | H23 | 115.4° | 120.0° |
| C6 | C8 | C9 | H23 | 119.7° | 120.0° |
| C8 | C6 | CD | HD2 | 51.8° | 52.5° |
| C8 | C6 | C7 | H9 | 120.2° | 53.4° |
| C8 | C6 | C7 | H10 | 1.6° | 66.5° |
| C6 | C8 | C9 | H24 | 180.0° | 73.9° |
| C6 | C8 | C9 | H25 | 60.0° | 166.1° |
| C6 | C8 | C9 | H26 | 60.0° | 46.1° |
| C6 | C8 | O8 | H28 | 180.0° | 180.0° |
| O8 | C8 | C9 | H23 | 118.4° | 120.0° |
| O8 | C8 | C6 | H8 | 83.1° | 173.4° |
| O8 | C8 | C9 | H24 | 58.2° | 46.1° |
| O8 | C8 | C9 | H25 | 178.2° | 73.9° |
| O8 | C8 | C9 | H26 | 61.8° | 166.1° |
| C9 | C8 | C6 | H8 | 153.2° | 53.4° |
| C8 | C9 | H24 | H25 | 120.0° | 120.0° |
| C8 | C9 | H24 | H26 | 120.0° | 120.0° |
| C8 | C9 | H25 | H26 | 120.0° | 120.0° |
| C9 | C8 | O8 | H28 | 53.0° | 60.0° |
| H1 | C11 | C10 | H15 | 94.8° | 23.2° |
| H2 | C11 | C10 | H15 | 27.8° | 144.2° |
| HA | CA | N | H | 10.1° | 40.3° |
| HA | CA | CB | HB2 | 147.1° | 146.2° |
| H | N | CD | HD2 | 2.6° | 40.2° |
| HD2 | CD | C6 | H8 | 154.3° | 172.6° |
| HD2 | CD | CG | HG2 | 135.6° | 23.9° |
| HD2 | CD | CG | HG3 | 11.7° | 146.0° |
| H8 | C6 | C7 | H9 | 139.9° | 66.6° |
| H8 | C6 | C7 | H10 | 101.5° | 173.5° |
| H8 | C6 | C8 | H23 | 33.3° | 66.6° |
| H9 | C7 | O14 | H11 | 59.3° | 60.0° |
| H10 | C7 | O14 | H11 | 59.2° | 60.0° |
| HB2 | CB | CG | HG2 | 2.3° | 122.2° |
| HB2 | CB | CG | HG3 | 121.6° | 0.1° |
| H15 | C10 | C14 | H18 | 30.4° | 159.0° |
| H15 | C10 | C14 | H19 | 90.3° | 35.2° |
| H16 | C13 | C14 | H18 | 28.4° | 37.8° |
| H16 | C13 | C14 | H19 | 92.3° | 86.1° |
| H17 | C13 | C14 | H18 | 148.7° | 160.0° |
| H17 | C13 | C14 | H19 | 27.9° | 36.1° |
| H20 | C16 | H21 | H22 | 120.0° | 120.0° |
| H23 | C8 | C9 | H24 | 60.3° | 166.1° |
| H23 | C8 | C9 | H25 | 59.7° | 46.1° |
| H23 | C8 | C9 | H26 | 179.8° | 73.9° |
| H23 | C8 | O8 | H28 | 64.7° | 60.0° |
| H24 | C9 | H25 | H26 | 120.0° | 120.1° |
