MD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.50Å | |
| C | OXT | doub | 1.21Å | 1.24Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG2 | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CD | NE | sing | 1.47Å | 1.45Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| NE | HNE | sing | 1.01Å | 1.00Å | |
| NE | HNEA | sing | 1.01Å | 1.00Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | OXT | 118.3° | 120.0° |
| CA | C | O | 118.5° | 120.0° |
| C | CA | N | 110.2° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| OXT | C | O | 123.2° | 120.0° |
| C | O | HO | 109.5° | 117.0° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.1° |
| N | CA | CB | 112.1° | 109.5° |
| N | CA | HA | 107.4° | 109.5° |
| HN | N | HNA | 109.4° | 111.0° |
| CB | CA | HA | 107.5° | 109.4° |
| CA | CB | CG2 | 113.9° | 109.5° |
| CA | CB | CG | 109.5° | 109.5° |
| CA | CB | HB | 106.8° | 109.4° |
| CG2 | CB | CG | 110.7° | 109.5° |
| CG2 | CB | HB | 105.5° | 109.5° |
| CB | CG2 | HG2 | 109.5° | 109.5° |
| CB | CG2 | HG2A | 109.5° | 109.5° |
| CB | CG2 | HG2B | 109.5° | 109.5° |
| CG | CB | HB | 110.2° | 109.4° |
| CB | CG | CD | 114.4° | 109.4° |
| CB | CG | HG | 107.9° | 109.5° |
| CB | CG | HGA | 107.9° | 109.4° |
| CG | CD | NE | 109.5° | 109.5° |
| CG | CD | HD | 109.4° | 109.5° |
| CG | CD | HDA | 109.5° | 109.5° |
| CD | CG | HG | 107.8° | 109.5° |
| CD | CG | HGA | 107.8° | 109.5° |
| NE | CD | HD | 109.4° | 109.5° |
| NE | CD | HDA | 109.5° | 109.4° |
| CD | NE | HNE | 109.5° | 111.0° |
| CD | NE | HNEA | 109.4° | 111.0° |
| HD | CD | HDA | 109.5° | 109.5° |
| HNE | NE | HNEA | 109.5° | 111.0° |
| HG | CG | HGA | 111.0° | 109.5° |
| HG2 | CG2 | HG2A | 109.4° | 109.4° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | OXT | O | 179.8° | 179.7° |
| C | CA | N | CB | 123.0° | 120.0° |
| C | CA | N | HA | 119.2° | 120.0° |
| C | CA | N | HN | 180.0° | 176.0° |
| C | CA | N | HNA | 60.0° | 60.0° |
| CA | C | O | HO | 179.8° | 179.7° |
| C | CA | CB | HA | 119.2° | 120.0° |
| C | CA | CB | CG2 | 58.4° | 60.0° |
| C | CA | CB | CG | 66.2° | 180.0° |
| C | CA | CB | HB | 174.5° | 60.0° |
| OXT | C | CA | N | 32.0° | 20.0° |
| OXT | C | O | HO | 0.0° | 0.0° |
| OXT | C | CA | CB | 92.1° | 100.0° |
| OXT | C | CA | HA | 149.9° | 140.0° |
| O | C | CA | N | 148.3° | 160.3° |
| O | C | CA | CB | 87.6° | 79.7° |
| O | C | CA | HA | 30.3° | 40.3° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HA | 117.8° | 120.0° |
| N | CA | CB | CG2 | 64.6° | 180.0° |
| N | CA | CB | CG | 170.8° | 59.9° |
| N | CA | CB | HB | 51.5° | 60.0° |
| HN | N | CA | CB | 57.0° | 64.0° |
| HN | N | CA | HA | 60.8° | 56.0° |
| HNA | N | CA | CB | 62.9° | 60.0° |
| HNA | N | CA | HA | 179.2° | 180.0° |
| CA | CB | CG2 | CG | 123.9° | 120.0° |
| CA | CB | CG2 | HB | 116.8° | 120.0° |
| CA | CB | CG | HB | 117.2° | 119.9° |
| CA | CB | CG | CD | 158.0° | 175.0° |
| CA | CB | CG | HG | 38.0° | 54.9° |
| CA | CB | CG | HGA | 82.1° | 65.1° |
| CA | CB | CG2 | HG2 | 180.0° | 60.0° |
| CA | CB | CG2 | HG2A | 60.0° | 179.9° |
| CA | CB | CG2 | HG2B | 60.0° | 60.0° |
| HA | CA | CB | CG2 | 177.6° | 60.0° |
| HA | CA | CB | CG | 53.0° | 60.1° |
| HA | CA | CB | HB | 66.3° | 180.0° |
| CG2 | CB | CG | HB | 116.3° | 120.0° |
| CG2 | CB | CG | CD | 75.6° | 65.0° |
| CG2 | CB | CG | HG | 164.4° | 175.0° |
| CG2 | CB | CG | HGA | 44.4° | 55.0° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 120.0° |
| CB | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 119.9° |
| CB | CG | CD | NE | 178.9° | 179.9° |
| CB | CG | CD | HD | 61.1° | 60.0° |
| CB | CG | CD | HDA | 58.9° | 60.0° |
| CB | CG | HG | HGA | 118.0° | 119.9° |
| CG | CB | CG2 | HG2 | 56.1° | 180.0° |
| CG | CB | CG2 | HG2A | 63.9° | 60.0° |
| CG | CB | CG2 | HG2B | 176.1° | 60.0° |
| HB | CB | CG | CD | 40.7° | 55.0° |
| HB | CB | CG | HG | 79.3° | 65.0° |
| HB | CB | CG | HGA | 160.7° | 175.0° |
| HB | CB | CG2 | HG2 | 63.2° | 60.0° |
| HB | CB | CG2 | HG2A | 176.9° | 60.0° |
| HB | CB | CG2 | HG2B | 56.8° | 180.0° |
| CG | CD | NE | HD | 120.0° | 120.0° |
| CG | CD | NE | HDA | 120.0° | 120.0° |
| CG | CD | HD | HDA | 120.0° | 120.0° |
| CG | CD | NE | HNE | 180.0° | 56.0° |
| CG | CD | NE | HNEA | 60.0° | 180.0° |
| CD | CG | HG | HGA | 118.0° | 120.1° |
| NE | CD | HD | HDA | 120.0° | 120.0° |
| CD | NE | HNE | HNEA | 120.0° | 124.0° |
| NE | CD | CG | HG | 58.9° | 60.0° |
| NE | CD | CG | HGA | 61.1° | 60.0° |
| HD | CD | NE | HNE | 60.0° | 176.0° |
| HD | CD | NE | HNEA | 180.0° | 60.0° |
| HD | CD | CG | HG | 178.9° | 60.0° |
| HD | CD | CG | HGA | 58.9° | 180.0° |
| HDA | CD | NE | HNE | 60.0° | 63.9° |
| HDA | CD | NE | HNEA | 60.0° | 60.0° |
| HDA | CD | CG | HG | 61.1° | 180.0° |
| HDA | CD | CG | HGA | 178.9° | 59.9° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
