Q3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.26Å | |
| N2 | C02 | sing | 1.47Å | 1.45Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C02 | CA | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 1.01Å | 1.00Å | |
| N2 | H4 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.8° | 120.0° |
| O | C | OXT | 122.3° | 120.0° |
| N2 | C02 | CA | 109.7° | 109.5° |
| N2 | C02 | C01 | 110.2° | 109.5° |
| N2 | C02 | H021 | 109.5° | 109.5° |
| C02 | N2 | H3 | 109.5° | 111.0° |
| C02 | N2 | H4 | 109.5° | 111.0° |
| C | CA | C02 | 110.2° | 109.5° |
| C | CA | N | 111.4° | 109.5° |
| CA | C | OXT | 116.9° | 120.0° |
| C | CA | HA | 106.4° | 109.5° |
| CA | C02 | C01 | 110.4° | 109.5° |
| C02 | CA | N | 114.7° | 109.5° |
| C02 | CA | HA | 106.4° | 109.5° |
| CA | C02 | H021 | 108.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C01 | C02 | H021 | 108.5° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 107.2° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2 | N | H | 109.5° | 111.0° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H3 | N2 | H4 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.9° | 180.0° |
| O | C | CA | C02 | 42.2° | 100.0° |
| O | C | CA | N | 170.7° | 20.0° |
| O | C | CA | HA | 72.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| N2 | C02 | CA | C | 62.5° | 175.0° |
| N2 | C02 | CA | C01 | 121.7° | 120.0° |
| N2 | C02 | CA | H021 | 119.6° | 120.0° |
| N2 | C02 | C01 | H021 | 119.9° | 120.0° |
| N2 | C02 | CA | N | 64.2° | 55.0° |
| N2 | C02 | CA | HA | 177.5° | 65.0° |
| N2 | C02 | C01 | H011 | 180.0° | 60.0° |
| N2 | C02 | C01 | H013 | 60.0° | 60.0° |
| N2 | C02 | C01 | H012 | 60.0° | 180.0° |
| C02 | N2 | H3 | H4 | 120.0° | 123.9° |
| C | CA | C02 | N | 126.7° | 120.0° |
| C | CA | C02 | HA | 115.0° | 120.0° |
| C | CA | C02 | C01 | 175.8° | 65.0° |
| C | CA | N | HA | 116.0° | 120.0° |
| C | CA | N | H2 | 180.0° | 176.1° |
| C | CA | N | H | 60.0° | 60.0° |
| C | CA | C02 | H021 | 57.1° | 55.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| CA | C02 | C01 | H021 | 118.7° | 120.0° |
| C02 | CA | N | HA | 117.9° | 120.0° |
| C02 | CA | C | OXT | 137.9° | 80.0° |
| C02 | CA | N | H2 | 53.9° | 63.9° |
| C02 | CA | N | H | 66.1° | 60.0° |
| CA | C02 | C01 | H011 | 58.6° | 180.0° |
| CA | C02 | C01 | H013 | 178.7° | 60.0° |
| CA | C02 | C01 | H012 | 61.4° | 60.0° |
| CA | C02 | N2 | H3 | 180.0° | 56.1° |
| CA | C02 | N2 | H4 | 60.0° | 180.0° |
| C01 | C02 | CA | N | 57.5° | 175.0° |
| C01 | C02 | CA | HA | 60.8° | 55.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | N2 | H3 | 58.2° | 63.9° |
| C01 | C02 | N2 | H4 | 178.2° | 60.0° |
| N | CA | C | OXT | 9.4° | 160.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | C02 | H021 | 176.2° | 65.0° |
| OXT | C | CA | HA | 107.1° | 40.0° |
| H2 | N | CA | HA | 64.0° | 56.0° |
| H | N | CA | HA | 176.0° | 180.0° |
| HA | CA | C02 | H021 | 57.9° | 175.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 60.1° | 60.0° |
| H013 | C01 | C02 | H021 | 59.9° | 180.0° |
| H012 | C01 | C02 | H021 | 179.9° | 60.0° |
| H021 | C02 | N2 | H3 | 61.0° | 176.1° |
| H021 | C02 | N2 | H4 | 59.0° | 60.0° |
