DA2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | NH1 | sing | 1.46Å | 1.49Å | |
| C1 | HC11 | sing | 1.09Å | 1.10Å | |
| C1 | HC12 | sing | 1.09Å | 1.10Å | |
| C1 | HC13 | sing | 1.09Å | 1.10Å | |
| C2 | NH1 | sing | 1.47Å | 1.48Å | |
| C2 | HC21 | sing | 1.09Å | 1.10Å | |
| C2 | HC22 | sing | 1.09Å | 1.10Å | |
| C2 | HC23 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HCB1 | sing | 1.09Å | 1.10Å | |
| CB | HCB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HCG1 | sing | 1.09Å | 1.10Å | |
| CG | HCG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.46Å | 1.47Å | |
| CD | HCD1 | sing | 1.09Å | 1.10Å | |
| CD | HCD2 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.38Å | 1.34Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CZ | NH2 | doub | 1.30Å | 1.33Å | |
| CZ | NH1 | sing | 1.37Å | 1.35Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NH1 | C1 | HC11 | 109.5° | 109.5° |
| NH1 | C1 | HC12 | 109.4° | 109.5° |
| NH1 | C1 | HC13 | 109.4° | 109.5° |
| C1 | NH1 | C2 | 118.1° | 120.0° |
| C1 | NH1 | CZ | 123.5° | 120.0° |
| HC11 | C1 | HC12 | 109.4° | 109.5° |
| HC11 | C1 | HC13 | 109.5° | 109.5° |
| HC12 | C1 | HC13 | 109.5° | 109.4° |
| NH1 | C2 | HC21 | 109.5° | 109.4° |
| NH1 | C2 | HC22 | 109.5° | 109.5° |
| NH1 | C2 | HC23 | 109.5° | 109.5° |
| C2 | NH1 | CZ | 118.1° | 120.0° |
| HC21 | C2 | HC22 | 109.4° | 109.5° |
| HC21 | C2 | HC23 | 109.4° | 109.5° |
| HC22 | C2 | HC23 | 109.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | C | 111.1° | 109.4° |
| N | CA | HA | 109.1° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 109.4° | 109.5° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | CG | 113.7° | 109.5° |
| CA | CB | HCB1 | 108.4° | 109.5° |
| CA | CB | HCB2 | 108.4° | 109.5° |
| C | CA | HA | 108.6° | 109.5° |
| CA | C | O | 118.2° | 120.0° |
| CA | C | OXT | 117.9° | 120.0° |
| CG | CB | HCB1 | 108.4° | 109.4° |
| CG | CB | HCB2 | 108.4° | 109.4° |
| CB | CG | CD | 111.0° | 109.5° |
| CB | CG | HCG1 | 109.1° | 109.5° |
| CB | CG | HCG2 | 109.1° | 109.4° |
| HCB1 | CB | HCB2 | 109.5° | 109.5° |
| CD | CG | HCG1 | 109.1° | 109.5° |
| CD | CG | HCG2 | 109.1° | 109.5° |
| CG | CD | NE | 111.6° | 109.5° |
| CG | CD | HCD1 | 108.9° | 109.5° |
| CG | CD | HCD2 | 108.9° | 109.4° |
| HCG1 | CG | HCG2 | 109.5° | 109.5° |
| NE | CD | HCD1 | 108.9° | 109.5° |
| NE | CD | HCD2 | 109.0° | 109.5° |
| CD | NE | CZ | 127.5° | 120.0° |
| CD | NE | HNE | 116.2° | 120.1° |
| HCD1 | CD | HCD2 | 109.5° | 109.5° |
| CZ | NE | HNE | 116.3° | 119.9° |
| NE | CZ | NH2 | 117.3° | 120.0° |
| NE | CZ | NH1 | 124.8° | 120.0° |
| NH2 | CZ | NH1 | 117.9° | 120.0° |
| CZ | NH2 | HNH2 | 112.0° | 120.0° |
| O | C | OXT | 123.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH1 | C1 | HC11 | HC12 | 120.0° | 120.0° |
| NH1 | C1 | HC11 | HC13 | 120.0° | 120.0° |
| NH1 | C1 | HC12 | HC13 | 120.0° | 120.0° |
| C1 | NH1 | C2 | CZ | 173.7° | 179.9° |
| C1 | NH1 | C2 | HC21 | 180.0° | 90.0° |
| C1 | NH1 | C2 | HC22 | 60.0° | 150.0° |
| C1 | NH1 | C2 | HC23 | 60.0° | 29.9° |
| C1 | NH1 | CZ | NE | 26.5° | 180.0° |
| C1 | NH1 | CZ | NH2 | 155.0° | 0.0° |
| HC11 | C1 | HC12 | HC13 | 120.0° | 120.0° |
| HC11 | C1 | NH1 | C2 | 180.0° | 90.0° |
| HC11 | C1 | NH1 | CZ | 6.6° | 90.0° |
| HC12 | C1 | NH1 | C2 | 60.0° | 150.0° |
| HC12 | C1 | NH1 | CZ | 113.4° | 30.1° |
| HC13 | C1 | NH1 | C2 | 60.0° | 30.0° |
| HC13 | C1 | NH1 | CZ | 126.6° | 150.0° |
| NH1 | C2 | HC21 | HC22 | 120.0° | 120.0° |
| NH1 | C2 | HC21 | HC23 | 120.0° | 119.9° |
| NH1 | C2 | HC22 | HC23 | 120.0° | 120.0° |
| C2 | NH1 | CZ | NE | 160.1° | 0.0° |
| C2 | NH1 | CZ | NH2 | 18.4° | 180.0° |
| HC21 | C2 | HC22 | HC23 | 120.0° | 120.0° |
| HC21 | C2 | NH1 | CZ | 6.2° | 90.1° |
| HC22 | C2 | NH1 | CZ | 126.2° | 30.0° |
| HC23 | C2 | NH1 | CZ | 113.8° | 150.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | C | 122.3° | 120.0° |
| N | CA | CB | HA | 119.3° | 120.0° |
| N | CA | C | HA | 120.0° | 119.9° |
| N | CA | CB | CG | 57.1° | 65.0° |
| N | CA | CB | HCB1 | 63.6° | 55.0° |
| N | CA | CB | HCB2 | 177.7° | 175.0° |
| N | CA | C | O | 18.8° | 20.0° |
| N | CA | C | OXT | 161.7° | 159.9° |
| H | N | CA | CB | 180.0° | 176.1° |
| H | N | CA | C | 58.7° | 63.9° |
| H | N | CA | HA | 61.0° | 56.0° |
| H2 | N | CA | CB | 60.0° | 59.9° |
| H2 | N | CA | C | 61.3° | 60.1° |
| H2 | N | CA | HA | 179.0° | 180.0° |
| CB | CA | C | HA | 118.4° | 120.1° |
| CA | CB | CG | HCB1 | 120.6° | 120.1° |
| CA | CB | CG | HCB2 | 120.6° | 120.0° |
| CA | CB | HCB1 | HCB2 | 118.0° | 120.1° |
| CA | CB | CG | CD | 167.3° | 180.0° |
| CA | CB | CG | HCG1 | 72.5° | 60.0° |
| CA | CB | CG | HCG2 | 47.1° | 60.0° |
| CB | CA | C | O | 102.8° | 100.0° |
| CB | CA | C | OXT | 76.7° | 80.1° |
| C | CA | CB | CG | 179.4° | 175.0° |
| C | CA | CB | HCB1 | 58.7° | 65.0° |
| C | CA | CB | HCB2 | 60.0° | 55.1° |
| CA | C | O | OXT | 179.4° | 179.9° |
| CA | C | OXT | HXT | 179.5° | 179.9° |
| HA | CA | CB | CG | 62.2° | 54.9° |
| HA | CA | CB | HCB1 | 177.1° | 175.0° |
| HA | CA | CB | HCB2 | 58.4° | 65.0° |
| HA | CA | C | O | 138.8° | 139.9° |
| HA | CA | C | OXT | 41.7° | 40.0° |
| CG | CB | HCB1 | HCB2 | 118.1° | 119.9° |
| CB | CG | CD | HCG1 | 120.2° | 120.1° |
| CB | CG | CD | HCG2 | 120.2° | 119.9° |
| CB | CG | HCG1 | HCG2 | 119.3° | 119.9° |
| CB | CG | CD | NE | 51.3° | 180.0° |
| CB | CG | CD | HCD1 | 69.0° | 59.9° |
| CB | CG | CD | HCD2 | 171.6° | 60.0° |
| HCB1 | CB | CG | CD | 46.7° | 59.9° |
| HCB1 | CB | CG | HCG1 | 166.9° | 180.0° |
| HCB1 | CB | CG | HCG2 | 73.5° | 60.0° |
| HCB2 | CB | CG | CD | 72.1° | 60.0° |
| HCB2 | CB | CG | HCG1 | 48.1° | 60.0° |
| HCB2 | CB | CG | HCG2 | 167.7° | 180.0° |
| CD | CG | HCG1 | HCG2 | 119.3° | 120.0° |
| CG | CD | NE | HCD1 | 120.3° | 120.0° |
| CG | CD | NE | HCD2 | 120.3° | 119.9° |
| CG | CD | HCD1 | HCD2 | 119.0° | 119.9° |
| CG | CD | NE | CZ | 164.1° | 180.0° |
| CG | CD | NE | HNE | 15.9° | 0.0° |
| HCG1 | CG | CD | NE | 171.5° | 60.0° |
| HCG1 | CG | CD | HCD1 | 51.2° | NaN° |
| HCG1 | CG | CD | HCD2 | 68.2° | 60.0° |
| HCG2 | CG | CD | NE | 68.9° | 60.1° |
| HCG2 | CG | CD | HCD1 | 170.8° | 60.0° |
| HCG2 | CG | CD | HCD2 | 51.4° | 180.0° |
| NE | CD | HCD1 | HCD2 | 119.0° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 180.0° |
| CD | NE | CZ | NH2 | 178.9° | 0.0° |
| CD | NE | CZ | NH1 | 0.4° | 180.0° |
| HCD1 | CD | NE | CZ | 43.8° | 60.0° |
| HCD1 | CD | NE | HNE | 136.3° | 120.0° |
| HCD2 | CD | NE | CZ | 75.6° | 60.0° |
| HCD2 | CD | NE | HNE | 104.4° | 120.0° |
| NE | CZ | NH2 | NH1 | 178.6° | 180.0° |
| NE | CZ | NH2 | HNH2 | 178.6° | 179.9° |
| HNE | NE | CZ | NH2 | 1.2° | 180.0° |
| HNE | NE | CZ | NH1 | 179.7° | 0.0° |
| NH1 | CZ | NH2 | HNH2 | 0.0° | 0.1° |
| O | C | OXT | HXT | 0.0° | 0.2° |
