UG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.25Å | |
| O | C | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | C27 | sing | 1.53Å | 1.52Å | |
| O22 | C21 | sing | 1.43Å | 1.42Å | |
| C27 | S26 | sing | 1.81Å | 1.81Å | |
| O20 | C19 | sing | 1.43Å | 1.42Å | |
| C10 | N11 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| N11 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | C23 | sing | 1.55Å | 1.53Å | |
| C21 | C19 | sing | 1.55Å | 1.54Å | |
| C23 | O24 | sing | 1.44Å | 1.45Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| S26 | C25 | sing | 1.81Å | 1.81Å | |
| C19 | C18 | sing | 1.54Å | 1.52Å | |
| C18 | O24 | sing | 1.44Å | 1.41Å | |
| C18 | N17 | sing | 1.47Å | 1.46Å | |
| N9 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| C12 | N17 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| N17 | C16 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.34Å | |
| C13 | C14 | sing | 1.46Å | 1.42Å | Aromatic |
| C16 | C14 | doub | 1.34Å | 1.36Å | Aromatic |
| C14 | I15 | sing | 2.09Å | 2.11Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| N7 | H18 | sing | 0.97Å | 1.00Å | |
| N7 | H19 | sing | 0.97Å | 1.00Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| O22 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 125.7° | 120.0° |
| OXT | C | CA | 116.7° | 120.0° |
| O | C | CA | 117.6° | 120.0° |
| C | O | H5 | 109.5° | 117.0° |
| C | CA | N | 109.4° | 109.4° |
| C | CA | CB | 110.9° | 109.5° |
| C | CA | H4 | 108.4° | 109.5° |
| N | CA | CB | 110.6° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | H4 | 109.0° | 109.4° |
| CA | CB | C27 | 113.7° | 109.5° |
| CB | CA | H4 | 108.4° | 109.5° |
| CA | CB | H6 | 108.4° | 109.5° |
| CA | CB | H7 | 108.4° | 109.5° |
| CB | C27 | S26 | 115.1° | 109.5° |
| C27 | CB | H6 | 108.4° | 109.5° |
| C27 | CB | H7 | 108.4° | 109.5° |
| CB | C27 | H16 | 108.1° | 109.5° |
| CB | C27 | H17 | 108.1° | 109.5° |
| O22 | C21 | C23 | 110.7° | 110.5° |
| O22 | C21 | C19 | 111.9° | 110.5° |
| O22 | C21 | H12 | 111.1° | 110.6° |
| C21 | O22 | H21 | 109.5° | 114.0° |
| C27 | S26 | C25 | 102.5° | 103.0° |
| S26 | C27 | H16 | 108.0° | 109.5° |
| S26 | C27 | H17 | 108.0° | 109.5° |
| O20 | C19 | C21 | 111.7° | 110.6° |
| O20 | C19 | C18 | 110.6° | 110.5° |
| O20 | C19 | H11 | 111.9° | 110.4° |
| C19 | O20 | H20 | 109.5° | 114.0° |
| N11 | C10 | N9 | 128.6° | 122.7° |
| C10 | N11 | C12 | 112.2° | 120.7° |
| N11 | C10 | H8 | 115.7° | 118.6° |
| C10 | N9 | C8 | 118.6° | 121.0° |
| N9 | C10 | H8 | 115.7° | 118.6° |
| N11 | C12 | N17 | 125.6° | 134.3° |
| N11 | C12 | C13 | 126.0° | 118.6° |
| C23 | C21 | C19 | 103.9° | 104.0° |
| C21 | C23 | O24 | 106.8° | 104.8° |
| C21 | C23 | C25 | 113.8° | 110.4° |
| C23 | C21 | H12 | 109.5° | 110.5° |
| C21 | C23 | H13 | 108.2° | 110.3° |
| C21 | C19 | C18 | 101.5° | 104.1° |
| C21 | C19 | H11 | 110.2° | 110.5° |
| C19 | C21 | H12 | 109.5° | 110.5° |
| O24 | C23 | C25 | 110.1° | 110.4° |
| C23 | O24 | C18 | 107.3° | 105.3° |
| O24 | C23 | H13 | 109.4° | 110.3° |
| C23 | C25 | S26 | 109.3° | 109.5° |
| C25 | C23 | H13 | 108.4° | 110.4° |
| C23 | C25 | H14 | 109.5° | 109.5° |
| C23 | C25 | H15 | 109.5° | 109.5° |
| S26 | C25 | H14 | 109.5° | 109.4° |
| S26 | C25 | H15 | 109.5° | 109.5° |
| C19 | C18 | O24 | 104.9° | 104.8° |
| C19 | C18 | N17 | 115.0° | 110.4° |
| C19 | C18 | H10 | 108.6° | 110.4° |
| C18 | C19 | H11 | 110.4° | 110.5° |
| O24 | C18 | N17 | 108.7° | 110.4° |
| O24 | C18 | H10 | 110.1° | 110.4° |
| C18 | N17 | C12 | 125.3° | 125.0° |
| C18 | N17 | C16 | 126.3° | 125.0° |
| N17 | C18 | H10 | 109.4° | 110.3° |
| N9 | C8 | C13 | 118.6° | 118.3° |
| N9 | C8 | N7 | 117.8° | 120.8° |
| N17 | C12 | C13 | 108.4° | 107.1° |
| C12 | N17 | C16 | 108.4° | 110.0° |
| C12 | C13 | C8 | 115.9° | 118.6° |
| C12 | C13 | C14 | 106.1° | 106.2° |
| N17 | C16 | C14 | 109.0° | 109.8° |
| N17 | C16 | H9 | 125.5° | 125.1° |
| C13 | C8 | N7 | 123.6° | 120.8° |
| C8 | C13 | C14 | 138.0° | 135.1° |
| C8 | N7 | H18 | 109.5° | 120.0° |
| C8 | N7 | H19 | 109.4° | 120.0° |
| C13 | C14 | C16 | 108.2° | 106.8° |
| C13 | C14 | I15 | 125.6° | 126.6° |
| C16 | C14 | I15 | 126.2° | 126.6° |
| C14 | C16 | H9 | 125.5° | 125.1° |
| H1 | N | H2 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H18 | N7 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.8° | 180.0° |
| OXT | C | CA | N | 27.8° | 20.0° |
| OXT | C | CA | CB | 150.2° | 100.0° |
| OXT | C | CA | H4 | 90.9° | 140.0° |
| OXT | C | O | H5 | 0.0° | 0.0° |
| O | C | CA | N | 152.3° | 160.0° |
| O | C | CA | CB | 30.0° | 80.0° |
| O | C | CA | H4 | 88.9° | 40.1° |
| C | CA | N | CB | 122.5° | 120.0° |
| C | CA | N | H4 | 118.4° | 120.0° |
| C | CA | CB | H4 | 118.9° | 120.0° |
| C | CA | CB | C27 | 160.7° | 175.0° |
| C | CA | N | H1 | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | O | H5 | 179.8° | 180.0° |
| C | CA | CB | H6 | 78.7° | 65.0° |
| C | CA | CB | H7 | 40.0° | 55.0° |
| N | CA | CB | H4 | 119.4° | 120.0° |
| N | CA | CB | C27 | 77.7° | 65.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H6 | 43.0° | 55.0° |
| N | CA | CB | H7 | 161.7° | 175.0° |
| CA | CB | C27 | H6 | 120.6° | 120.0° |
| CA | CB | C27 | H7 | 120.6° | 120.0° |
| CA | CB | C27 | S26 | 178.4° | 180.0° |
| CB | CA | N | H1 | 57.5° | 60.0° |
| CB | CA | N | H2 | 177.5° | 63.9° |
| CA | CB | H6 | H7 | 118.0° | 120.0° |
| CA | CB | C27 | H16 | 57.6° | 60.0° |
| CA | CB | C27 | H17 | 60.7° | 60.0° |
| CB | C27 | S26 | H16 | 120.8° | 120.0° |
| CB | C27 | S26 | H17 | 120.8° | 120.0° |
| CB | C27 | S26 | C25 | 167.5° | 180.0° |
| C27 | CB | CA | H4 | 41.8° | 54.9° |
| C27 | CB | H6 | H7 | 118.1° | 120.0° |
| CB | C27 | H16 | H17 | 117.5° | 120.0° |
| O22 | C21 | C19 | O20 | 23.2° | 0.1° |
| O22 | C21 | C23 | C19 | 120.3° | 118.6° |
| O22 | C21 | C23 | H12 | 122.8° | 122.7° |
| O22 | C21 | C19 | H12 | 123.7° | 122.7° |
| O22 | C21 | C23 | O24 | 116.6° | 142.6° |
| O22 | C21 | C23 | C25 | 121.7° | 98.6° |
| O22 | C21 | C19 | C18 | 94.7° | 118.6° |
| O22 | C21 | C19 | H11 | 148.3° | 122.7° |
| O22 | C21 | C23 | H13 | 1.1° | 23.8° |
| C27 | S26 | C25 | C23 | 46.5° | 180.0° |
| S26 | C27 | CB | H6 | 60.9° | 60.0° |
| S26 | C27 | CB | H7 | 57.8° | 60.0° |
| C27 | S26 | C25 | H14 | 166.4° | 60.1° |
| C27 | S26 | C25 | H15 | 73.5° | 60.0° |
| S26 | C27 | H16 | H17 | 117.4° | 120.0° |
| O20 | C19 | C21 | C23 | 142.6° | 118.7° |
| O20 | C19 | C21 | C18 | 117.8° | 118.7° |
| O20 | C19 | C21 | H11 | 125.1° | 122.6° |
| O20 | C19 | C18 | H11 | 124.5° | 122.6° |
| O20 | C19 | C18 | O24 | 157.4° | 142.8° |
| O20 | C19 | C18 | N17 | 83.2° | 98.4° |
| O20 | C19 | C18 | H10 | 39.7° | 23.9° |
| O20 | C19 | C21 | H12 | 100.5° | 122.6° |
| N11 | C10 | N9 | H8 | 180.0° | 179.7° |
| N11 | C10 | N9 | C8 | 0.1° | 0.0° |
| C10 | N11 | C12 | N17 | 179.7° | 180.0° |
| C10 | N11 | C12 | C13 | 0.2° | 0.0° |
| N9 | C10 | N11 | C12 | 0.1° | 0.0° |
| C10 | N9 | C8 | C13 | 0.1° | 0.0° |
| C10 | N9 | C8 | N7 | 180.0° | 180.0° |
| N11 | C12 | N17 | C18 | 0.6° | 0.0° |
| N11 | C12 | N17 | C13 | 179.6° | 180.0° |
| N11 | C12 | N17 | C16 | 179.6° | 180.0° |
| N11 | C12 | C13 | C8 | 0.2° | 0.0° |
| N11 | C12 | C13 | C14 | 179.6° | 180.0° |
| C12 | N11 | C10 | H8 | 179.9° | 179.7° |
| C23 | C21 | C19 | H12 | 116.9° | 118.6° |
| C21 | C23 | O24 | C25 | 123.9° | 118.9° |
| C21 | C23 | O24 | H13 | 116.9° | 118.8° |
| C21 | C23 | C25 | H13 | 120.5° | 122.3° |
| C21 | C23 | C25 | S26 | 79.6° | 175.0° |
| C23 | C21 | C19 | C18 | 24.8° | 0.0° |
| C21 | C23 | O24 | C18 | 21.4° | 40.5° |
| C23 | C21 | C19 | H11 | 92.3° | 118.7° |
| C21 | C23 | C25 | H14 | 40.4° | 55.0° |
| C21 | C23 | C25 | H15 | 160.5° | 65.0° |
| C23 | C21 | O22 | H21 | 180.0° | 180.0° |
| C19 | C21 | C23 | O24 | 3.6° | 24.0° |
| C19 | C21 | C23 | C25 | 118.1° | 142.8° |
| C21 | C19 | C18 | H11 | 116.9° | 118.6° |
| C21 | C19 | C18 | O24 | 38.8° | 24.0° |
| C21 | C19 | C18 | N17 | 158.1° | 142.8° |
| C21 | C19 | C18 | H10 | 78.9° | 94.9° |
| C19 | C21 | C23 | H13 | 121.3° | 94.8° |
| C21 | C19 | O20 | H20 | 180.0° | 65.2° |
| C19 | C21 | O22 | H21 | 64.6° | 65.4° |
| O24 | C23 | C25 | H13 | 119.7° | 122.3° |
| O24 | C23 | C25 | S26 | 160.6° | 69.6° |
| C23 | O24 | C18 | C19 | 38.1° | 40.5° |
| C23 | O24 | C18 | N17 | 161.6° | 159.3° |
| C23 | O24 | C18 | H10 | 78.6° | 78.4° |
| O24 | C23 | C21 | H12 | 120.5° | 94.7° |
| O24 | C23 | C25 | H14 | 79.4° | 170.4° |
| O24 | C23 | C25 | H15 | 40.7° | 50.4° |
| C23 | C25 | S26 | H14 | 120.0° | 120.0° |
| C23 | C25 | S26 | H15 | 120.0° | 120.0° |
| C25 | C23 | O24 | C18 | 145.3° | 159.3° |
| C25 | C23 | C21 | H12 | 1.2° | 24.2° |
| C23 | C25 | H14 | H15 | 120.1° | 120.0° |
| S26 | C25 | C23 | H13 | 40.9° | 52.7° |
| S26 | C25 | H14 | H15 | 120.1° | 120.0° |
| C25 | S26 | C27 | H16 | 71.7° | 60.0° |
| C25 | S26 | C27 | H17 | 46.7° | 60.0° |
| C19 | C18 | O24 | N17 | 123.4° | 118.8° |
| C19 | C18 | O24 | H10 | 116.7° | 118.9° |
| C19 | C18 | N17 | H10 | 122.5° | 122.4° |
| C19 | C18 | N17 | C12 | 122.9° | 88.2° |
| C19 | C18 | N17 | C16 | 58.3° | 91.8° |
| C18 | C19 | C21 | H12 | 141.7° | 118.6° |
| C18 | C19 | O20 | H20 | 67.7° | 180.0° |
| O24 | C18 | N17 | H10 | 120.3° | 122.2° |
| O24 | C18 | N17 | C12 | 120.0° | 156.4° |
| O24 | C18 | N17 | C16 | 58.9° | 23.6° |
| O24 | C18 | C19 | H11 | 78.1° | 94.7° |
| C18 | O24 | C23 | H13 | 95.6° | 78.3° |
| C18 | N17 | C12 | C16 | 179.1° | 180.0° |
| C18 | N17 | C12 | C13 | 179.0° | 180.0° |
| C18 | N17 | C16 | C14 | 178.9° | 180.0° |
| C18 | N17 | C16 | H9 | 1.1° | 0.1° |
| N17 | C18 | C19 | H11 | 41.2° | 24.2° |
| N9 | C8 | C13 | C12 | 0.1° | 0.0° |
| N9 | C8 | C13 | N7 | 179.9° | 180.0° |
| N9 | C8 | C13 | C14 | 179.5° | 180.0° |
| C8 | N9 | C10 | H8 | 179.9° | 179.7° |
| N9 | C8 | N7 | H18 | 0.0° | 180.0° |
| N9 | C8 | N7 | H19 | 120.0° | 0.0° |
| N17 | C12 | C13 | C8 | 179.8° | 180.0° |
| N17 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | N17 | C16 | C14 | 0.1° | 0.0° |
| C12 | N17 | C16 | H9 | 179.9° | 179.9° |
| C12 | N17 | C18 | H10 | 0.4° | 34.2° |
| C13 | C12 | N17 | C16 | 0.1° | 0.0° |
| C12 | C13 | C8 | C14 | 179.7° | 180.0° |
| C12 | C13 | C8 | N7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | I15 | 178.3° | 180.0° |
| N17 | C16 | C14 | C13 | 0.1° | 0.0° |
| N17 | C16 | C14 | H9 | 180.0° | 179.9° |
| N17 | C16 | C14 | I15 | 178.2° | 180.0° |
| C16 | N17 | C18 | H10 | 179.3° | 145.8° |
| C8 | C13 | C14 | C16 | 179.8° | 180.0° |
| C8 | C13 | C14 | I15 | 1.4° | 0.0° |
| C13 | C8 | N7 | H18 | 179.9° | 0.0° |
| C13 | C8 | N7 | H19 | 59.9° | 180.0° |
| N7 | C8 | C13 | C14 | 0.4° | 0.0° |
| C8 | N7 | H18 | H19 | 120.0° | 180.0° |
| C13 | C14 | C16 | I15 | 178.4° | 180.0° |
| C13 | C14 | C16 | H9 | 179.9° | 180.0° |
| I15 | C14 | C16 | H9 | 1.7° | 0.1° |
| H1 | N | CA | H4 | 61.6° | 180.0° |
| H2 | N | CA | H4 | 58.4° | 56.1° |
| H4 | CA | CB | H6 | 162.4° | 175.0° |
| H4 | CA | CB | H7 | 78.9° | 65.0° |
| H6 | CB | C27 | H16 | 178.3° | 180.0° |
| H6 | CB | C27 | H17 | 59.9° | 60.0° |
| H7 | CB | C27 | H16 | 63.0° | 60.0° |
| H7 | CB | C27 | H17 | 178.6° | 180.0° |
| H10 | C18 | C19 | H11 | 164.2° | 146.5° |
| H11 | C19 | C21 | H12 | 24.6° | 0.0° |
| H11 | C19 | O20 | H20 | 55.9° | 57.4° |
| H12 | C21 | C23 | H13 | 121.8° | 146.5° |
| H12 | C21 | O22 | H21 | 58.2° | 57.3° |
| H13 | C23 | C25 | H14 | 160.9° | 67.3° |
| H13 | C23 | C25 | H15 | 79.0° | 172.7° |
