DAV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | C1 | sing | 1.53Å | 1.48Å | |
| CB | HCB1 | sing | 1.09Å | 1.12Å | |
| CB | HCB2 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.53Å | 1.50Å | |
| CG | HCG1 | sing | 1.09Å | 1.12Å | |
| CG | HCG2 | sing | 1.09Å | 1.11Å | |
| CD | N | sing | 1.47Å | 1.48Å | |
| CD | HCD1 | sing | 1.09Å | 1.11Å | |
| CD | HCD2 | sing | 1.09Å | 1.12Å | |
| N | H | sing | 1.01Å | 1.04Å | |
| N | H2 | sing | 1.01Å | 1.04Å | |
| N | H3 | sing | 1.01Å | 1.04Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | HCA1 | sing | 1.09Å | 1.11Å | |
| C1 | HCA2 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 123.8° | 120.0° |
| OXT | C | O | 123.8° | 120.0° |
| OXT | C | C1 | 117.3° | 120.0° |
| O | C | C1 | 118.9° | 120.0° |
| CG | CB | C1 | 108.1° | 109.4° |
| CG | CB | HCB1 | 112.7° | 109.4° |
| CG | CB | HCB2 | 112.7° | 109.5° |
| CB | CG | CD | 110.1° | 109.4° |
| CB | CG | HCG1 | 111.9° | 109.4° |
| CB | CG | HCG2 | 112.0° | 109.5° |
| C1 | CB | HCB1 | 112.7° | 109.4° |
| C1 | CB | HCB2 | 112.8° | 109.5° |
| CB | C1 | C | 114.0° | 109.5° |
| CB | C1 | HCA1 | 110.5° | 109.4° |
| CB | C1 | HCA2 | 110.5° | 109.5° |
| HCB1 | CB | HCB2 | 97.7° | 109.5° |
| CD | CG | HCG1 | 112.0° | 109.4° |
| CD | CG | HCG2 | 112.0° | 109.5° |
| CG | CD | N | 114.1° | 109.4° |
| CG | CD | HCD1 | 110.6° | 109.4° |
| CG | CD | HCD2 | 110.5° | 109.5° |
| HCG1 | CG | HCG2 | 98.4° | 109.5° |
| N | CD | HCD1 | 110.5° | 109.4° |
| N | CD | HCD2 | 110.5° | 109.5° |
| CD | N | H | 109.5° | 109.5° |
| CD | N | H2 | 109.5° | 109.4° |
| CD | N | H3 | 109.5° | 109.4° |
| HCD1 | CD | HCD2 | 99.8° | 109.5° |
| H | N | H2 | 109.4° | 109.5° |
| H | N | H3 | 109.5° | 109.5° |
| H2 | N | H3 | 109.5° | 109.5° |
| C | C1 | HCA1 | 110.6° | 109.4° |
| C | C1 | HCA2 | 110.5° | 109.5° |
| HCA1 | C1 | HCA2 | 99.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | C1 | 179.3° | 179.9° |
| OXT | C | C1 | CB | 139.6° | 180.0° |
| OXT | C | C1 | HCA1 | 14.4° | 60.1° |
| OXT | C | C1 | HCA2 | 95.2° | 59.9° |
| HXT | OXT | C | O | 180.0° | 0.1° |
| HXT | OXT | C | C1 | 0.7° | 180.0° |
| O | C | C1 | CB | 41.1° | 0.1° |
| O | C | C1 | HCA1 | 166.3° | 120.0° |
| O | C | C1 | HCA2 | 84.2° | 120.0° |
| CG | CB | C1 | HCB1 | 125.2° | 119.9° |
| CG | CB | C1 | HCB2 | 125.3° | 120.0° |
| CG | CB | HCB1 | HCB2 | 118.6° | 120.0° |
| CB | CG | CD | HCG1 | 125.2° | 119.9° |
| CB | CG | CD | HCG2 | 125.3° | 120.0° |
| CB | CG | HCG1 | HCG2 | 117.9° | 120.0° |
| CB | CG | CD | N | 120.8° | 180.0° |
| CB | CG | CD | HCD1 | 114.0° | 60.1° |
| CB | CG | CD | HCD2 | 4.4° | 60.0° |
| CG | CB | C1 | C | 172.5° | 180.0° |
| CG | CB | C1 | HCA1 | 62.2° | 60.1° |
| CG | CB | C1 | HCA2 | 47.3° | 60.0° |
| C1 | CB | HCB1 | HCB2 | 118.7° | 120.1° |
| C1 | CB | CG | CD | 154.2° | 180.0° |
| C1 | CB | CG | HCG1 | 80.5° | 60.1° |
| C1 | CB | CG | HCG2 | 29.0° | 60.0° |
| CB | C1 | C | HCA1 | 125.3° | 119.9° |
| CB | C1 | C | HCA2 | 125.2° | 120.1° |
| CB | C1 | HCA1 | HCA2 | 116.4° | 120.1° |
| HCB1 | CB | CG | CD | 80.5° | 60.1° |
| HCB1 | CB | CG | HCG1 | 44.7° | 180.0° |
| HCB1 | CB | CG | HCG2 | 154.2° | 59.9° |
| HCB1 | CB | C1 | C | 47.3° | 60.1° |
| HCB1 | CB | C1 | HCA1 | 172.6° | NaN° |
| HCB1 | CB | C1 | HCA2 | 77.9° | 60.0° |
| HCB2 | CB | CG | CD | 28.9° | 60.0° |
| HCB2 | CB | CG | HCG1 | 154.2° | 59.9° |
| HCB2 | CB | CG | HCG2 | 96.4° | NaN° |
| HCB2 | CB | C1 | C | 62.2° | 60.0° |
| HCB2 | CB | C1 | HCA1 | 63.1° | 59.9° |
| HCB2 | CB | C1 | HCA2 | 172.6° | 180.0° |
| CD | CG | HCG1 | HCG2 | 117.9° | 120.1° |
| CG | CD | N | HCD1 | 125.3° | 119.9° |
| CG | CD | N | HCD2 | 125.2° | 120.0° |
| CG | CD | HCD1 | HCD2 | 116.4° | 120.1° |
| CG | CD | N | H | 60.0° | 59.9° |
| CG | CD | N | H2 | 60.0° | 180.0° |
| CG | CD | N | H3 | 180.0° | 60.0° |
| HCG1 | CG | CD | N | 4.4° | 60.1° |
| HCG1 | CG | CD | HCD1 | 120.8° | NaN° |
| HCG1 | CG | CD | HCD2 | 129.6° | 59.9° |
| HCG2 | CG | CD | N | 113.9° | 60.0° |
| HCG2 | CG | CD | HCD1 | 11.3° | 59.9° |
| HCG2 | CG | CD | HCD2 | 120.9° | 180.0° |
| N | CD | HCD1 | HCD2 | 116.4° | 120.0° |
| CD | N | H | H2 | 120.0° | 120.0° |
| CD | N | H | H3 | 120.0° | 120.0° |
| CD | N | H2 | H3 | 120.0° | 119.9° |
| HCD1 | CD | N | H | 65.3° | 60.0° |
| HCD1 | CD | N | H2 | 174.7° | 60.1° |
| HCD1 | CD | N | H3 | 54.7° | 179.9° |
| HCD2 | CD | N | H | 174.8° | 180.0° |
| HCD2 | CD | N | H2 | 65.2° | 60.0° |
| HCD2 | CD | N | H3 | 54.8° | 60.0° |
| H | N | H2 | H3 | 120.0° | 120.0° |
| C | C1 | HCA1 | HCA2 | 116.4° | 120.0° |
