IAS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.22Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | OD1 | doub | 1.21Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CG | OD2 | sing | 1.34Å | 1.43Å | |
| OD2 | HD2 | 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 | 112.5° | 109.5° |
| N | CA | CB | 114.1° | 109.5° |
| N | CA | HA | 104.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | CA | CB | 111.1° | 109.5° |
| C | CA | HA | 108.0° | 109.4° |
| CA | C | O | 120.5° | 120.0° |
| CA | C | OXT | 115.6° | 120.0° |
| CB | CA | HA | 106.1° | 109.5° |
| CA | CB | CG | 110.6° | 109.5° |
| CA | CB | HB2 | 109.1° | 109.5° |
| CA | CB | HB3 | 109.1° | 109.5° |
| O | C | OXT | 123.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CG | CB | HB2 | 109.1° | 109.4° |
| CG | CB | HB3 | 109.1° | 109.5° |
| CB | CG | OD1 | 122.5° | 120.0° |
| CB | CG | OD2 | 129.2° | 120.0° |
| HB2 | CB | HB3 | 109.8° | 109.5° |
| OD1 | CG | OD2 | 108.3° | 120.0° |
| CG | OD2 | HD2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | CB | 129.3° | 120.0° |
| N | CA | C | HA | 114.8° | 120.0° |
| N | CA | CB | HA | 114.5° | 120.0° |
| N | CA | C | O | 146.3° | 20.0° |
| N | CA | C | OXT | 34.8° | 160.0° |
| N | CA | CB | CG | 69.7° | 65.0° |
| N | CA | CB | HB2 | 50.3° | 55.0° |
| N | CA | CB | HB3 | 170.3° | 175.0° |
| H | N | CA | C | 180.0° | 64.0° |
| H | N | CA | CB | 52.3° | 176.0° |
| H | N | CA | HA | 63.1° | 56.0° |
| H2 | N | CA | C | 60.0° | 60.0° |
| H2 | N | CA | CB | 172.3° | 60.0° |
| H2 | N | CA | HA | 56.9° | 179.9° |
| C | CA | CB | HA | 117.1° | 119.9° |
| CA | C | O | OXT | 178.8° | 179.9° |
| C | CA | CB | CG | 162.0° | 175.0° |
| C | CA | CB | HB2 | 78.1° | 65.0° |
| C | CA | CB | HB3 | 42.0° | 55.0° |
| CA | C | OXT | HXT | 178.9° | 180.0° |
| CB | CA | C | O | 17.0° | 100.0° |
| CB | CA | C | OXT | 164.1° | 80.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 119.6° | 120.0° |
| CA | CB | CG | OD1 | 46.7° | 0.1° |
| CA | CB | CG | OD2 | 133.4° | 180.0° |
| HA | CA | C | O | 99.0° | 140.0° |
| HA | CA | C | OXT | 79.9° | 40.0° |
| HA | CA | CB | CG | 44.8° | 55.1° |
| HA | CA | CB | HB2 | 164.8° | 175.0° |
| HA | CA | CB | HB3 | 75.2° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CB | HB2 | HB3 | 119.5° | 120.0° |
| CB | CG | OD1 | OD2 | 180.0° | 179.9° |
| CB | CG | OD2 | HD2 | 180.0° | 180.0° |
| HB2 | CB | CG | OD1 | 166.7° | 120.1° |
| HB2 | CB | CG | OD2 | 13.4° | 60.0° |
| HB3 | CB | CG | OD1 | 73.4° | 120.0° |
| HB3 | CB | CG | OD2 | 106.6° | 60.0° |
| OD1 | CG | OD2 | HD2 | 0.0° | 0.1° |
