SQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C2 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | O4 | sing | 1.34Å | 1.25Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA3 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C2 | C1 | 117.1° | 120.0° |
| O3 | C2 | O4 | 125.7° | 119.9° |
| C1 | C2 | O4 | 117.2° | 120.0° |
| C2 | C1 | N | 110.9° | 109.5° |
| C2 | C1 | H6 | 109.1° | 109.5° |
| C2 | C1 | H7 | 109.1° | 109.5° |
| C2 | O4 | H8 | 109.5° | 117.0° |
| C1 | N | CA | 111.8° | 111.0° |
| C1 | N | H | 108.9° | 111.0° |
| N | C1 | H6 | 109.1° | 109.5° |
| N | C1 | H7 | 109.1° | 109.4° |
| N | CA | C | 113.2° | 109.5° |
| CA | N | H | 108.9° | 111.0° |
| N | CA | HA2 | 108.5° | 109.4° |
| N | CA | HA3 | 108.5° | 109.5° |
| CA | C | O | 118.1° | 120.0° |
| C | CA | HA2 | 108.5° | 109.5° |
| C | CA | HA3 | 108.5° | 109.5° |
| CA | C | OXT | 117.3° | 120.0° |
| O | C | OXT | 124.5° | 119.9° |
| HA2 | CA | HA3 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C2 | C1 | O4 | 179.9° | 179.9° |
| O3 | C2 | C1 | N | 114.3° | 0.1° |
| O3 | C2 | C1 | H6 | 125.5° | 120.0° |
| O3 | C2 | C1 | H7 | 6.0° | 120.0° |
| O3 | C2 | O4 | H8 | 0.0° | 0.0° |
| C2 | C1 | N | H6 | 120.2° | 120.0° |
| C2 | C1 | N | H7 | 120.2° | 120.0° |
| C2 | C1 | N | CA | 55.8° | 180.0° |
| C2 | C1 | N | H | 64.6° | 56.0° |
| C2 | C1 | H6 | H7 | 119.3° | 120.0° |
| C1 | C2 | O4 | H8 | 179.9° | 180.0° |
| O4 | C2 | C1 | N | 65.7° | 180.0° |
| O4 | C2 | C1 | H6 | 54.5° | 60.0° |
| O4 | C2 | C1 | H7 | 174.1° | 60.0° |
| C1 | N | CA | H | 120.4° | 124.0° |
| C1 | N | CA | C | 173.7° | 180.0° |
| C1 | N | CA | HA2 | 65.7° | 60.0° |
| C1 | N | CA | HA3 | 53.2° | 60.0° |
| N | C1 | H6 | H7 | 119.3° | 120.0° |
| N | CA | C | HA2 | 120.5° | 120.0° |
| N | CA | C | HA3 | 120.6° | 120.0° |
| N | CA | C | O | 128.8° | 0.1° |
| N | CA | HA2 | HA3 | 118.3° | 120.0° |
| CA | N | C1 | H6 | 176.0° | 60.0° |
| CA | N | C1 | H7 | 64.4° | 60.0° |
| N | CA | C | OXT | 50.5° | 180.0° |
| CA | C | O | OXT | 179.3° | 179.9° |
| C | CA | N | H | 53.4° | 56.0° |
| C | CA | HA2 | HA3 | 118.3° | 120.0° |
| CA | C | OXT | HXT | 179.3° | 180.0° |
| O | C | CA | HA2 | 8.3° | 120.0° |
| O | C | CA | HA3 | 110.6° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H | N | CA | HA2 | 173.9° | 64.0° |
| H | N | CA | HA3 | 67.2° | 176.1° |
| H | N | C1 | H6 | 55.6° | 176.1° |
| H | N | C1 | H7 | 175.2° | 64.0° |
| HA2 | CA | C | OXT | 171.1° | 60.0° |
| HA3 | CA | C | OXT | 70.0° | 60.0° |
