S2P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG | sing | 1.38Å | 1.49Å | Aromatic |
| CD2 | OD2 | sing | 1.36Å | 1.25Å | |
| CD2 | NE2 | doub | 1.31Å | 1.37Å | Aromatic |
| CG | ND1 | doub | 1.30Å | 1.33Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| ND1 | SE1 | sing | 1.56Å | 1.77Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.56Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| NE2 | SE1 | sing | 1.69Å | 1.76Å | Aromatic |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OD2 | HOD2 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CD2 | OD2 | 115.8° | 123.7° |
| CG | CD2 | NE2 | 115.4° | 112.6° |
| CD2 | CG | ND1 | 111.4° | 115.4° |
| CD2 | CG | CB | 121.1° | 122.3° |
| OD2 | CD2 | NE2 | 128.8° | 123.7° |
| CD2 | OD2 | HOD2 | 109.5° | 114.0° |
| CD2 | NE2 | SE1 | 108.3° | 105.9° |
| ND1 | CG | CB | 127.6° | 122.3° |
| CG | ND1 | SE1 | 111.8° | 108.9° |
| CG | CB | CA | 111.4° | 109.5° |
| CG | CB | HB | 108.8° | 109.4° |
| CG | CB | HBA | 108.4° | 109.5° |
| ND1 | SE1 | NE2 | 93.1° | 97.2° |
| CB | CA | C | 111.4° | 109.5° |
| CB | CA | N | 114.4° | 109.5° |
| CA | CB | HB | 108.8° | 109.5° |
| CA | CB | HBA | 108.4° | 109.5° |
| CB | CA | HA | 104.1° | 109.5° |
| C | CA | N | 107.8° | 109.5° |
| CA | C | O | 121.2° | 120.0° |
| CA | C | OXT | 109.5° | 120.0° |
| C | CA | HA | 111.2° | 109.4° |
| N | CA | HA | 107.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| O | C | OXT | 129.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HB | CB | HBA | 111.0° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CD2 | OD2 | NE2 | 179.6° | 179.6° |
| CD2 | CG | ND1 | CB | 179.9° | 180.0° |
| CD2 | CG | ND1 | SE1 | 0.3° | 0.1° |
| CD2 | CG | CB | CA | 94.2° | 90.0° |
| CG | CD2 | NE2 | SE1 | 0.2° | 0.4° |
| CD2 | CG | CB | HB | 25.8° | 150.0° |
| CD2 | CG | CB | HBA | 146.6° | 30.0° |
| CG | CD2 | OD2 | HOD2 | 0.8° | 89.9° |
| OD2 | CD2 | CG | ND1 | 179.9° | 180.0° |
| OD2 | CD2 | CG | CB | 0.0° | 0.1° |
| OD2 | CD2 | NE2 | SE1 | 179.9° | 180.0° |
| NE2 | CD2 | CG | ND1 | 0.4° | 0.3° |
| NE2 | CD2 | CG | CB | 179.7° | 179.7° |
| CD2 | NE2 | SE1 | ND1 | 0.0° | 0.3° |
| NE2 | CD2 | OD2 | HOD2 | 178.8° | 89.7° |
| ND1 | CG | CB | CA | 85.7° | 90.0° |
| CG | ND1 | SE1 | NE2 | 0.2° | 0.1° |
| ND1 | CG | CB | HB | 154.3° | 30.0° |
| ND1 | CG | CB | HBA | 33.5° | 150.0° |
| CB | CG | ND1 | SE1 | 179.7° | 180.0° |
| CG | CB | CA | HB | 120.0° | 120.0° |
| CG | CB | CA | HBA | 119.2° | 120.0° |
| CG | CB | CA | C | 179.5° | 175.0° |
| CG | CB | CA | N | 57.9° | 65.0° |
| CG | CB | HB | HBA | 119.2° | 120.0° |
| CG | CB | CA | HA | 59.7° | 55.0° |
| CB | CA | C | N | 126.3° | 120.0° |
| CB | CA | C | HA | 115.6° | 120.0° |
| CB | CA | N | HA | 115.3° | 120.1° |
| CB | CA | C | O | 51.8° | 100.0° |
| CB | CA | C | OXT | 127.7° | 80.0° |
| CA | CB | HB | HBA | 119.2° | 120.0° |
| CB | CA | N | H | 64.0° | 176.1° |
| CB | CA | N | H2 | 176.0° | 59.9° |
| C | CA | N | HA | 120.2° | 120.0° |
| CA | C | O | OXT | 179.4° | 180.0° |
| C | CA | CB | HB | 59.5° | 55.0° |
| C | CA | CB | HBA | 61.3° | 65.0° |
| CA | C | OXT | HXT | 179.4° | 180.0° |
| C | CA | N | H | 171.5° | 63.9° |
| C | CA | N | H2 | 51.5° | 60.1° |
| N | CA | C | O | 178.1° | 20.1° |
| N | CA | C | OXT | 1.3° | 160.0° |
| N | CA | CB | HB | 177.9° | 175.0° |
| N | CA | CB | HBA | 61.3° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| O | C | CA | HA | 63.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 116.7° | 40.0° |
| HB | CB | CA | HA | 60.4° | 65.0° |
| HBA | CB | CA | HA | 178.8° | 175.0° |
| HA | CA | N | H | 51.3° | 56.0° |
| HA | CA | N | H2 | 68.7° | 180.0° |
