XDT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.51Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HCA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| CB | OG1 | sing | 1.43Å | 1.41Å | |
| CB | CG2 | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| OG1 | CD1 | sing | 1.43Å | 1.44Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | 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) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | C | 108.0° | 109.5° |
| N | CA | CB | 98.4° | 109.4° |
| N | CA | HCA | 111.9° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| C | CA | CB | 114.4° | 109.5° |
| C | CA | HCA | 111.6° | 109.5° |
| CA | C | O | 114.7° | 120.0° |
| CA | C | OXT | 119.3° | 120.0° |
| CB | CA | HCA | 111.8° | 109.4° |
| CA | CB | OG1 | 116.6° | 109.4° |
| CA | CB | CG2 | 116.5° | 109.5° |
| CA | CB | HB | 90.7° | 109.4° |
| O | C | OXT | 126.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| OG1 | CB | CG2 | 126.9° | 109.5° |
| OG1 | CB | HB | 90.7° | 109.5° |
| CB | OG1 | CD1 | 121.3° | 114.0° |
| CG2 | CB | HB | 90.7° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.4° | 109.5° |
| OG1 | CD1 | HD11 | 109.5° | 109.5° |
| OG1 | CD1 | HD12 | 109.5° | 109.5° |
| OG1 | CD1 | HD13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.4° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.4° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| HD11 | CD1 | HD12 | 109.5° | 109.4° |
| HD11 | CD1 | HD13 | 109.5° | 109.5° |
| HD12 | CD1 | HD13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | CB | 108.4° | 120.0° |
| N | CA | C | HCA | 123.4° | 120.0° |
| N | CA | CB | HCA | 117.7° | 119.9° |
| N | CA | C | O | 2.3° | 20.0° |
| N | CA | C | OXT | 177.2° | 160.0° |
| N | CA | CB | OG1 | 89.6° | 180.0° |
| N | CA | CB | CG2 | 92.6° | 60.0° |
| N | CA | CB | HB | 1.5° | 60.1° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 60.8° | 60.0° |
| H | N | CA | HCA | 56.9° | 180.0° |
| H2 | N | CA | C | 60.0° | 63.9° |
| H2 | N | CA | CB | 59.2° | 176.0° |
| H2 | N | CA | HCA | 176.8° | 56.1° |
| C | CA | CB | HCA | 128.1° | 120.0° |
| CA | C | O | OXT | 179.6° | 180.0° |
| C | CA | CB | OG1 | 24.5° | 60.0° |
| C | CA | CB | CG2 | 153.2° | 180.0° |
| C | CA | CB | HB | 115.7° | 60.0° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| CB | CA | C | O | 110.8° | 100.0° |
| CB | CA | C | OXT | 68.8° | 80.0° |
| CA | CB | OG1 | CG2 | 177.5° | 120.0° |
| CA | CB | OG1 | HB | 91.1° | 119.9° |
| CA | CB | CG2 | HB | 91.1° | 120.0° |
| CA | CB | OG1 | CD1 | 129.9° | 150.0° |
| CA | CB | CG2 | HG21 | 180.0° | 60.0° |
| CA | CB | CG2 | HG22 | 60.0° | 60.0° |
| CA | CB | CG2 | HG23 | 60.0° | 180.0° |
| HCA | CA | C | O | 121.0° | 140.0° |
| HCA | CA | C | OXT | 59.4° | 40.0° |
| HCA | CA | CB | OG1 | 152.6° | 60.0° |
| HCA | CA | CB | CG2 | 25.1° | 60.0° |
| HCA | CA | CB | HB | 116.2° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OG1 | CB | CG2 | HB | 91.4° | 120.0° |
| OG1 | CB | CG2 | HG21 | 2.5° | 180.0° |
| OG1 | CB | CG2 | HG22 | 122.5° | 60.0° |
| OG1 | CB | CG2 | HG23 | 117.5° | 60.0° |
| CB | OG1 | CD1 | HD11 | 180.0° | 60.0° |
| CB | OG1 | CD1 | HD12 | 60.0° | 60.0° |
| CB | OG1 | CD1 | HD13 | 60.0° | 180.0° |
| CG2 | CB | OG1 | CD1 | 47.6° | 90.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.1° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HB | CB | OG1 | CD1 | 138.9° | 30.0° |
| HB | CB | CG2 | HG21 | 88.9° | 60.0° |
| HB | CB | CG2 | HG22 | 31.1° | 180.0° |
| HB | CB | CG2 | HG23 | 151.1° | 60.0° |
| OG1 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| OG1 | CD1 | HD11 | HD13 | 120.0° | 120.1° |
| OG1 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 119.9° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
