T3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C70 | sing | 1.53Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.19Å | |
| N | C52 | sing | 1.47Å | 1.45Å | |
| C71 | C70 | sing | 1.53Å | 1.60Å | |
| C71 | C72 | sing | 1.53Å | 1.56Å | |
| C72 | C74 | sing | 1.53Å | 1.54Å | |
| C72 | C73 | sing | 1.53Å | 1.51Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C70 | H702 | sing | 1.09Å | 1.10Å | |
| C70 | H701 | sing | 1.09Å | 1.10Å | |
| C71 | H711 | sing | 1.09Å | 1.10Å | |
| C71 | H712 | sing | 1.09Å | 1.10Å | |
| C72 | H721 | sing | 1.09Å | 1.10Å | |
| C73 | H733 | sing | 1.09Å | 1.10Å | |
| C73 | H731 | sing | 1.09Å | 1.10Å | |
| C73 | H732 | sing | 1.09Å | 1.10Å | |
| C74 | H743 | sing | 1.09Å | 1.10Å | |
| C74 | H741 | sing | 1.09Å | 1.10Å | |
| C74 | H742 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.51Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | N | 105.4° | 109.5° |
| C | CA | C70 | 112.4° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| C | CA | HA | 108.9° | 109.5° |
| CA | C | OXT | 119.6° | 120.0° |
| N | CA | C70 | 110.3° | 109.5° |
| CA | N | C52 | 119.8° | 111.0° |
| N | CA | HA | 110.6° | 109.5° |
| CA | N | H | 106.8° | 111.0° |
| CA | C70 | C71 | 112.3° | 109.4° |
| C70 | CA | HA | 109.2° | 109.5° |
| CA | C70 | H702 | 108.7° | 109.4° |
| CA | C70 | H701 | 108.8° | 109.5° |
| O | C | OXT | 120.4° | 120.0° |
| N | C52 | H521 | 109.5° | 109.4° |
| N | C52 | H522 | 109.5° | 109.4° |
| N | C52 | H523 | 109.5° | 109.4° |
| C52 | N | H | 106.8° | 111.0° |
| C70 | C71 | C72 | 114.3° | 109.5° |
| C71 | C70 | H702 | 108.8° | 109.5° |
| C71 | C70 | H701 | 108.7° | 109.5° |
| C70 | C71 | H711 | 108.2° | 109.5° |
| C70 | C71 | H712 | 108.2° | 109.5° |
| C71 | C72 | C74 | 111.8° | 109.5° |
| C71 | C72 | C73 | 111.6° | 109.4° |
| C72 | C71 | H711 | 108.2° | 109.5° |
| C72 | C71 | H712 | 108.2° | 109.4° |
| C71 | C72 | H721 | 107.0° | 109.5° |
| C74 | C72 | C73 | 111.4° | 109.5° |
| C74 | C72 | H721 | 107.2° | 109.5° |
| C72 | C74 | H743 | 109.5° | 109.4° |
| C72 | C74 | H741 | 109.5° | 109.4° |
| C72 | C74 | H742 | 109.5° | 109.5° |
| C73 | C72 | H721 | 107.6° | 109.4° |
| C72 | C73 | H733 | 109.5° | 109.5° |
| C72 | C73 | H731 | 109.5° | 109.5° |
| C72 | C73 | H732 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H521 | C52 | H523 | 109.4° | 109.5° |
| H522 | C52 | H523 | 109.5° | 109.5° |
| H702 | C70 | H701 | 109.5° | 109.5° |
| H711 | C71 | H712 | 109.5° | 109.5° |
| H733 | C73 | H731 | 109.4° | 109.5° |
| H733 | C73 | H732 | 109.5° | 109.5° |
| H731 | C73 | H732 | 109.5° | 109.4° |
| H743 | C74 | H741 | 109.5° | 109.5° |
| H743 | C74 | H742 | 109.5° | 109.5° |
| H741 | C74 | H742 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | N | C70 | 121.6° | 120.0° |
| C | CA | N | HA | 117.6° | 120.0° |
| C | CA | C70 | HA | 121.0° | 120.0° |
| CA | C | O | OXT | 178.4° | 180.0° |
| C | CA | N | C52 | 51.7° | 85.6° |
| C | CA | C70 | C71 | 170.1° | 175.0° |
| C | CA | C70 | H702 | 69.5° | 65.0° |
| C | CA | C70 | H701 | 49.7° | 55.0° |
| C | CA | N | H | 173.1° | 38.3° |
| CA | C | OXT | HXT | 178.4° | 180.0° |
| N | CA | C70 | HA | 121.7° | 120.0° |
| N | CA | C | O | 102.0° | 26.6° |
| CA | N | C52 | H | 121.5° | 123.9° |
| N | CA | C70 | C71 | 72.6° | 65.0° |
| CA | N | C52 | H521 | 180.0° | 64.6° |
| CA | N | C52 | H522 | 60.0° | 55.4° |
| CA | N | C52 | H523 | 60.0° | 175.4° |
| N | CA | C70 | H702 | 47.8° | 55.0° |
| N | CA | C70 | H701 | 167.0° | 175.0° |
| N | CA | C | OXT | 76.4° | 153.4° |
| C70 | CA | C | O | 18.2° | 93.4° |
| C70 | CA | N | C52 | 69.9° | 154.4° |
| CA | C70 | C71 | H702 | 120.4° | 119.9° |
| CA | C70 | C71 | H701 | 120.4° | 120.0° |
| CA | C70 | C71 | C72 | 131.4° | 179.9° |
| CA | C70 | H702 | H701 | 118.7° | 120.0° |
| CA | C70 | C71 | H711 | 107.9° | 60.0° |
| CA | C70 | C71 | H712 | 10.6° | 60.0° |
| C70 | CA | N | H | 51.6° | 81.7° |
| C70 | CA | C | OXT | 163.4° | 86.6° |
| O | C | CA | HA | 139.4° | 146.6° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| N | C52 | H521 | H522 | 120.0° | 119.9° |
| N | C52 | H521 | H523 | 120.0° | 120.0° |
| N | C52 | H522 | H523 | 120.0° | 120.0° |
| C52 | N | CA | HA | 169.2° | 34.4° |
| C70 | C71 | C72 | H711 | 120.7° | 120.1° |
| C70 | C71 | C72 | H712 | 120.7° | 120.0° |
| C70 | C71 | C72 | C74 | 68.6° | 175.0° |
| C70 | C71 | C72 | C73 | 56.9° | 65.0° |
| C71 | C70 | CA | HA | 49.1° | 55.0° |
| C71 | C70 | H702 | H701 | 118.7° | 120.0° |
| C70 | C71 | H711 | H712 | 117.8° | 120.1° |
| C70 | C71 | C72 | H721 | 174.4° | 54.9° |
| C71 | C72 | C74 | C73 | 125.7° | 119.9° |
| C71 | C72 | C74 | H721 | 116.9° | 120.1° |
| C71 | C72 | C73 | H721 | 117.1° | 120.0° |
| C72 | C71 | C70 | H702 | 10.9° | 60.0° |
| C72 | C71 | C70 | H701 | 108.2° | 60.0° |
| C72 | C71 | H711 | H712 | 117.8° | 119.9° |
| C71 | C72 | C73 | H733 | 180.0° | 60.0° |
| C71 | C72 | C73 | H731 | 60.0° | 180.0° |
| C71 | C72 | C73 | H732 | 60.0° | 60.0° |
| C71 | C72 | C74 | H743 | 180.0° | 60.1° |
| C71 | C72 | C74 | H741 | 60.0° | 180.0° |
| C71 | C72 | C74 | H742 | 60.0° | 60.0° |
| C74 | C72 | C73 | H721 | 117.1° | 120.0° |
| C74 | C72 | C71 | H711 | 170.7° | 64.9° |
| C74 | C72 | C71 | H712 | 52.1° | 55.0° |
| C74 | C72 | C73 | H733 | 54.2° | 60.0° |
| C74 | C72 | C73 | H731 | 65.8° | 60.0° |
| C74 | C72 | C73 | H732 | 174.2° | 180.0° |
| C72 | C74 | H743 | H741 | 120.0° | 119.9° |
| C72 | C74 | H743 | H742 | 120.0° | 120.0° |
| C72 | C74 | H741 | H742 | 120.0° | 120.0° |
| C73 | C72 | C71 | H711 | 63.8° | 55.0° |
| C73 | C72 | C71 | H712 | 177.6° | 175.0° |
| C72 | C73 | H733 | H731 | 120.0° | 120.0° |
| C72 | C73 | H733 | H732 | 120.0° | 120.0° |
| C72 | C73 | H731 | H732 | 120.0° | 120.0° |
| C73 | C72 | C74 | H743 | 54.3° | 180.0° |
| C73 | C72 | C74 | H741 | 174.3° | 60.0° |
| C73 | C72 | C74 | H742 | 65.7° | 60.0° |
| H521 | C52 | H522 | H523 | 120.0° | 120.1° |
| H521 | C52 | N | H | 58.5° | 171.5° |
| H522 | C52 | N | H | 178.5° | 68.5° |
| H523 | C52 | N | H | 61.5° | 51.5° |
| HA | CA | C70 | H702 | 169.5° | 175.0° |
| HA | CA | C70 | H701 | 71.3° | 65.0° |
| HA | CA | N | H | 69.3° | 158.3° |
| HA | CA | C | OXT | 42.2° | 33.4° |
| H702 | C70 | C71 | H711 | 131.7° | 180.0° |
| H702 | C70 | C71 | H712 | 109.8° | 59.9° |
| H701 | C70 | C71 | H711 | 12.5° | 60.0° |
| H701 | C70 | C71 | H712 | 131.0° | 179.9° |
| H711 | C71 | C72 | H721 | 53.6° | 175.0° |
| H712 | C71 | C72 | H721 | 64.9° | 65.1° |
| H721 | C72 | C73 | H733 | 62.9° | 180.0° |
| H721 | C72 | C73 | H731 | 177.1° | 60.0° |
| H721 | C72 | C73 | H732 | 57.1° | 60.0° |
| H721 | C72 | C74 | H743 | 63.1° | 60.0° |
| H721 | C72 | C74 | H741 | 56.9° | 60.0° |
| H721 | C72 | C74 | H742 | 176.9° | 180.0° |
| H733 | C73 | H731 | H732 | 120.0° | 120.0° |
| H743 | C74 | H741 | H742 | 120.0° | 120.1° |
