TDD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CB | CG1 | sing | 1.53Å | 1.54Å | |
| CB | CG2 | sing | 1.53Å | 1.54Å | |
| CB | CG3 | sing | 1.53Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CG3 | HG31 | sing | 1.09Å | 1.10Å | |
| CG3 | HG32 | sing | 1.09Å | 1.10Å | |
| CG3 | HG33 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 110.7° | 109.5° |
| N | CA | C | 108.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 112.7° | 109.5° |
| CB | CA | C | 117.0° | 109.5° |
| CA | CB | CG1 | 113.4° | 109.5° |
| CA | CB | CG2 | 108.8° | 109.4° |
| CA | CB | CG3 | 111.5° | 109.4° |
| CB | CA | HA | 102.7° | 109.5° |
| CA | C | O | 121.7° | 120.0° |
| CA | C | OXT | 115.5° | 120.0° |
| C | CA | HA | 105.7° | 109.5° |
| CG1 | CB | CG2 | 107.6° | 109.5° |
| CG1 | CB | CG3 | 109.2° | 109.5° |
| CB | CG1 | HG11 | 109.5° | 109.5° |
| CB | CG1 | HG12 | 109.5° | 109.5° |
| CB | CG1 | HG13 | 109.4° | 109.4° |
| CG2 | CB | CG3 | 106.1° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.4° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| CB | CG3 | HG31 | 109.5° | 109.5° |
| CB | CG3 | HG32 | 109.5° | 109.4° |
| CB | CG3 | HG33 | 109.4° | 109.5° |
| O | C | OXT | 122.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 110.9° |
| HG11 | CG1 | HG12 | 109.5° | 109.5° |
| HG11 | CG1 | HG13 | 109.4° | 109.4° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.4° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| HG31 | CG3 | HG32 | 109.5° | 109.5° |
| HG31 | CG3 | HG33 | 109.5° | 109.5° |
| HG32 | CG3 | HG33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 124.3° | 120.0° |
| N | CA | CB | HA | 120.5° | 120.0° |
| N | CA | C | HA | 120.8° | 120.0° |
| N | CA | CB | CG1 | 47.9° | 60.0° |
| N | CA | CB | CG2 | 71.7° | 180.0° |
| N | CA | CB | CG3 | 171.6° | 60.0° |
| N | CA | C | O | 85.6° | 20.0° |
| N | CA | C | OXT | 95.4° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CB | CA | C | HA | 113.5° | 120.0° |
| CA | CB | CG1 | CG2 | 120.3° | 120.0° |
| CA | CB | CG1 | CG3 | 125.0° | 120.0° |
| CA | CB | CG2 | CG3 | 120.1° | 119.9° |
| CB | CA | C | O | 40.0° | 100.0° |
| CB | CA | C | OXT | 139.0° | 80.0° |
| CB | CA | N | H | 174.3° | 60.1° |
| CB | CA | N | H2 | 65.7° | 176.1° |
| CA | CB | CG1 | HG11 | 80.3° | 59.9° |
| CA | CB | CG1 | HG12 | 39.7° | 180.0° |
| CA | CB | CG1 | HG13 | 159.7° | 60.0° |
| CA | CB | CG2 | HG21 | 103.0° | 60.0° |
| CA | CB | CG2 | HG22 | 17.0° | 180.0° |
| CA | CB | CG2 | HG23 | 137.0° | 60.1° |
| CA | CB | CG3 | HG31 | 177.3° | 60.0° |
| CA | CB | CG3 | HG32 | 57.3° | 180.0° |
| CA | CB | CG3 | HG33 | 62.7° | 60.1° |
| C | CA | CB | CG1 | 76.4° | 180.0° |
| C | CA | CB | CG2 | 164.0° | 60.0° |
| C | CA | CB | CG3 | 47.4° | 60.0° |
| CA | C | O | OXT | 179.0° | 180.0° |
| C | CA | N | H | 45.0° | 59.9° |
| C | CA | N | H2 | 165.0° | 63.9° |
| CA | C | OXT | HXT | 179.1° | 180.0° |
| CG1 | CB | CG2 | CG3 | 116.7° | 120.1° |
| CG1 | CB | CA | HA | 168.4° | 60.0° |
| CB | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG13 | 120.0° | 119.9° |
| CB | CG1 | HG12 | HG13 | 120.0° | 119.9° |
| CG1 | CB | CG2 | HG21 | 20.1° | 180.0° |
| CG1 | CB | CG2 | HG22 | 140.1° | 60.0° |
| CG1 | CB | CG2 | HG23 | 99.9° | 59.9° |
| CG1 | CB | CG3 | HG31 | 56.6° | 60.0° |
| CG1 | CB | CG3 | HG32 | 176.7° | 60.0° |
| CG1 | CB | CG3 | HG33 | 63.4° | 180.0° |
| CG2 | CB | CA | HA | 48.8° | 60.0° |
| CG2 | CB | CG1 | HG11 | 159.4° | 60.0° |
| CG2 | CB | CG1 | HG12 | 80.6° | 60.1° |
| CG2 | CB | CG1 | HG13 | 39.4° | 180.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 119.9° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.1° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CG2 | CB | CG3 | HG31 | 59.0° | 180.0° |
| CG2 | CB | CG3 | HG32 | 61.0° | 60.0° |
| CG2 | CB | CG3 | HG33 | 179.0° | 59.9° |
| CG3 | CB | CA | HA | 67.9° | 180.0° |
| CG3 | CB | CG1 | HG11 | 44.7° | 179.9° |
| CG3 | CB | CG1 | HG12 | 164.7° | 60.0° |
| CG3 | CB | CG1 | HG13 | 75.3° | 60.0° |
| CG3 | CB | CG2 | HG21 | 136.9° | 59.9° |
| CG3 | CB | CG2 | HG22 | 103.1° | 60.1° |
| CG3 | CB | CG2 | HG23 | 16.9° | 180.0° |
| CB | CG3 | HG31 | HG32 | 120.0° | 119.9° |
| CB | CG3 | HG31 | HG33 | 120.0° | 120.0° |
| CB | CG3 | HG32 | HG33 | 119.9° | 119.9° |
| O | C | CA | HA | 153.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 25.5° | 40.0° |
| H | N | CA | HA | 71.4° | 179.9° |
| H2 | N | CA | HA | 48.6° | 56.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.1° |
| HG31 | CG3 | HG32 | HG33 | 120.0° | 120.1° |
