1TX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O14 | sing | 1.45Å | 1.42Å | |
| O13 | C25 | doub | 1.21Å | 1.23Å | |
| O14 | C25 | sing | 1.34Å | 1.44Å | |
| C25 | C24 | sing | 1.51Å | 1.49Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 91.93Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O14 | C25 | 118.9° | 117.0° |
| O14 | C26 | H11 | 109.5° | 109.5° |
| O14 | C26 | H12 | 109.5° | 109.5° |
| O14 | C26 | H13 | 109.5° | 109.5° |
| O13 | C25 | O14 | 120.6° | 120.0° |
| O13 | C25 | C24 | 120.9° | 120.0° |
| O14 | C25 | C24 | 118.5° | 120.0° |
| C25 | C24 | C23 | 106.8° | 109.4° |
| C25 | C24 | H9 | 110.1° | 109.5° |
| C25 | C24 | H10 | 110.1° | 109.5° |
| C24 | C23 | C22 | 104.7° | 109.4° |
| C23 | C24 | H9 | 110.1° | 109.5° |
| C23 | C24 | H10 | 110.1° | 109.5° |
| C24 | C23 | H34 | 110.6° | 109.5° |
| C24 | C23 | H35 | 110.6° | 109.5° |
| C23 | C22 | C21 | 113.1° | 109.5° |
| C23 | C22 | H7 | 108.5° | 109.5° |
| C23 | C22 | H8 | 108.6° | 109.5° |
| C22 | C23 | H34 | 110.7° | 109.5° |
| C22 | C23 | H35 | 110.7° | 109.5° |
| C22 | C21 | CA | 115.4° | 109.5° |
| C22 | C21 | H5 | 108.0° | 109.4° |
| C22 | C21 | H6 | 108.0° | 109.5° |
| C21 | C22 | H7 | 108.6° | 109.5° |
| C21 | C22 | H8 | 108.6° | 109.4° |
| C21 | CA | N | 108.0° | 109.4° |
| C21 | CA | C | 108.2° | 109.5° |
| CA | C21 | H5 | 107.9° | 109.5° |
| CA | C21 | H6 | 108.0° | 109.5° |
| C21 | CA | HA | 110.9° | 109.5° |
| N | CA | C | 106.5° | 109.5° |
| N | CA | HA | 111.9° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 120.7° | 120.0° |
| C | CA | HA | 111.1° | 109.5° |
| CA | C | OXT | 17.0° | 120.0° |
| O | C | OXT | 137.1° | 120.0° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H11 | C26 | H13 | 109.4° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O14 | C25 | O13 | 3.1° | 0.0° |
| C26 | O14 | C25 | C24 | 178.1° | 180.0° |
| O14 | C26 | H11 | H12 | 120.0° | 120.0° |
| O14 | C26 | H11 | H13 | 120.0° | 120.0° |
| O14 | C26 | H12 | H13 | 120.0° | 120.0° |
| O13 | C25 | O14 | C24 | 178.8° | 180.0° |
| O13 | C25 | C24 | C23 | 0.4° | 0.0° |
| O13 | C25 | C24 | H9 | 120.0° | 120.0° |
| O13 | C25 | C24 | H10 | 119.2° | 120.0° |
| O14 | C25 | C24 | C23 | 178.3° | 180.0° |
| O14 | C25 | C24 | H9 | 58.8° | 60.0° |
| O14 | C25 | C24 | H10 | 62.1° | 60.0° |
| C25 | O14 | C26 | H11 | 180.0° | 60.0° |
| C25 | O14 | C26 | H12 | 60.0° | 180.0° |
| C25 | O14 | C26 | H13 | 60.0° | 60.0° |
| C25 | C24 | C23 | H9 | 119.6° | 120.0° |
| C25 | C24 | C23 | H10 | 119.6° | 120.0° |
| C25 | C24 | C23 | C22 | 130.8° | 180.0° |
| C25 | C24 | H9 | H10 | 121.2° | 120.0° |
| C25 | C24 | C23 | H34 | 11.6° | 60.0° |
| C25 | C24 | C23 | H35 | 109.9° | 60.0° |
| C24 | C23 | C22 | H34 | 119.2° | 120.0° |
| C24 | C23 | C22 | H35 | 119.2° | 120.0° |
| C24 | C23 | C22 | C21 | 68.3° | 180.0° |
| C24 | C23 | C22 | H7 | 171.2° | 60.0° |
| C24 | C23 | C22 | H8 | 52.3° | 60.0° |
| C23 | C24 | H9 | H10 | 121.2° | 120.0° |
| C24 | C23 | H34 | H35 | 122.2° | 120.0° |
| C23 | C22 | C21 | H7 | 120.5° | 120.1° |
| C23 | C22 | C21 | H8 | 120.6° | 120.0° |
| C23 | C22 | C21 | CA | 174.8° | 180.0° |
| C23 | C22 | C21 | H5 | 64.3° | 60.0° |
| C23 | C22 | C21 | H6 | 53.9° | 60.0° |
| C23 | C22 | H7 | H8 | 118.3° | 120.0° |
| C22 | C23 | C24 | H9 | 109.6° | 60.0° |
| C22 | C23 | C24 | H10 | 11.3° | 60.0° |
| C22 | C23 | H34 | H35 | 122.3° | 120.0° |
| C22 | C21 | CA | H5 | 120.9° | 120.0° |
| C22 | C21 | CA | H6 | 120.9° | 120.0° |
| C22 | C21 | CA | N | 79.9° | 65.0° |
| C22 | C21 | CA | C | 165.2° | 175.0° |
| C22 | C21 | H5 | H6 | 117.3° | 120.0° |
| C21 | C22 | H7 | H8 | 118.3° | 120.0° |
| C22 | C21 | CA | HA | 43.1° | 55.0° |
| C21 | C22 | C23 | H34 | 50.9° | 60.0° |
| C21 | C22 | C23 | H35 | 172.5° | 60.0° |
| C21 | CA | N | C | 116.0° | 120.0° |
| C21 | CA | N | HA | 122.4° | 120.0° |
| C21 | CA | C | HA | 122.0° | 120.0° |
| C21 | CA | C | O | 77.8° | 99.7° |
| CA | C21 | H5 | H6 | 117.3° | 120.0° |
| CA | C21 | C22 | H7 | 54.3° | 59.9° |
| CA | C21 | C22 | H8 | 64.6° | 60.0° |
| C21 | CA | N | H | 180.0° | 60.0° |
| C21 | CA | N | H2 | 60.0° | 64.0° |
| C21 | CA | C | OXT | 115.5° | 80.0° |
| N | CA | C | HA | 122.1° | 120.0° |
| N | CA | C | O | 38.0° | 20.2° |
| N | CA | C21 | H5 | 159.2° | 175.0° |
| N | CA | C21 | H6 | 40.9° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 128.7° | 160.0° |
| CA | C | O | OXT | 5.7° | 179.8° |
| C | CA | C21 | H5 | 44.3° | 55.0° |
| C | CA | C21 | H6 | 74.0° | 65.0° |
| C | CA | N | H | 64.0° | 60.0° |
| C | CA | N | H2 | 56.0° | 176.0° |
| CA | C | OXT | HXT | 90.0° | 179.8° |
| O | C | CA | HA | 160.2° | 140.2° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H5 | C21 | C22 | H7 | 175.2° | 60.0° |
| H5 | C21 | C22 | H8 | 56.2° | 180.0° |
| H5 | C21 | CA | HA | 77.8° | 65.0° |
| H6 | C21 | C22 | H7 | 66.6° | 180.0° |
| H6 | C21 | C22 | H8 | 174.5° | 60.0° |
| H6 | C21 | CA | HA | 163.9° | 175.0° |
| H7 | C22 | C23 | H34 | 69.6° | 180.0° |
| H7 | C22 | C23 | H35 | 52.0° | 60.0° |
| H8 | C22 | C23 | H34 | 171.5° | 60.0° |
| H8 | C22 | C23 | H35 | 66.9° | 180.0° |
| H9 | C24 | C23 | H34 | 131.2° | 180.0° |
| H9 | C24 | C23 | H35 | 9.6° | 60.0° |
| H10 | C24 | C23 | H34 | 108.0° | 60.0° |
| H10 | C24 | C23 | H35 | 130.5° | 180.0° |
| H11 | C26 | H12 | H13 | 120.0° | 120.0° |
| HA | CA | N | H | 57.6° | 180.0° |
| HA | CA | N | H2 | 177.6° | 56.0° |
| HA | CA | C | OXT | 6.5° | 40.0° |






