HSA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD2 | doub | 1.35Å | 1.36Å | Aromatic |
| CG | ND1 | sing | 1.34Å | 1.38Å | Aromatic |
| CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| ND1 | CE1 | doub | 1.31Å | 1.32Å | Aromatic |
| CE1 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| NE2 | HE2 | sing | 0.97Å | 1.02Å | |
| C | OP4 | sing | 1.43Å | 1.42Å | |
| C | CA | sing | 1.53Å | 1.52Å | |
| C | H41 | sing | 1.09Å | 1.11Å | |
| C | H42 | sing | 1.09Å | 1.11Å | |
| OP4 | P | sing | 1.61Å | 1.59Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.59Å | |
| P | OP3 | sing | 1.61Å | 1.46Å | |
| OP2 | HO2 | sing | 0.97Å | 0.95Å | |
| OP3 | HO3 | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.47Å | 1.36Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | HA | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CB | CA | 109.2° | 109.5° |
| CG | CB | HB1 | 112.2° | 109.5° |
| CG | CB | HB2 | 112.3° | 109.5° |
| CB | CG | CD2 | 131.2° | 126.0° |
| CB | CG | ND1 | 122.8° | 126.0° |
| CA | CB | HB1 | 112.3° | 109.5° |
| CA | CB | HB2 | 112.3° | 109.4° |
| CB | CA | C | 118.7° | 109.5° |
| CB | CA | N | 121.3° | 109.5° |
| CB | CA | HA | 90.3° | 109.4° |
| HB1 | CB | HB2 | 98.2° | 109.5° |
| CD2 | CG | ND1 | 106.0° | 108.0° |
| CG | CD2 | NE2 | 107.1° | 106.8° |
| CG | CD2 | HD2 | 126.0° | 126.6° |
| CG | ND1 | CE1 | 109.6° | 109.3° |
| NE2 | CD2 | HD2 | 126.9° | 126.6° |
| CD2 | NE2 | CE1 | 109.2° | 107.2° |
| CD2 | NE2 | HE2 | 127.0° | 126.4° |
| ND1 | CE1 | NE2 | 108.2° | 108.7° |
| ND1 | CE1 | HE1 | 125.9° | 125.6° |
| NE2 | CE1 | HE1 | 125.9° | 125.6° |
| CE1 | NE2 | HE2 | 123.8° | 126.4° |
| OP4 | C | CA | 119.6° | 109.5° |
| OP4 | C | H41 | 108.6° | 109.5° |
| OP4 | C | H42 | 108.6° | 109.5° |
| C | OP4 | P | 122.6° | 106.8° |
| CA | C | H41 | 108.5° | 109.5° |
| CA | C | H42 | 108.5° | 109.5° |
| C | CA | N | 119.9° | 109.5° |
| C | CA | HA | 116.9° | 109.4° |
| H41 | C | H42 | 101.5° | 109.4° |
| OP4 | P | OP1 | 106.4° | 109.5° |
| OP4 | P | OP2 | 100.1° | 109.5° |
| OP4 | P | OP3 | 109.8° | 109.4° |
| OP1 | P | OP2 | 113.8° | 109.5° |
| OP1 | P | OP3 | 117.5° | 109.5° |
| OP2 | P | OP3 | 107.8° | 109.4° |
| P | OP2 | HO2 | 100.1° | 106.9° |
| P | OP3 | HO3 | 109.8° | 106.9° |
| CA | N | HN1 | 121.4° | 106.7° |
| CA | N | HN2 | 108.0° | 106.7° |
| N | CA | HA | 65.7° | 109.5° |
| HN1 | N | HN2 | 108.0° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CB | CA | HB1 | 125.2° | 120.1° |
| CG | CB | CA | HB2 | 125.3° | 120.0° |
| CG | CB | HB1 | HB2 | 118.2° | 120.0° |
| CB | CG | CD2 | ND1 | 177.7° | 179.7° |
| CB | CG | CD2 | NE2 | 177.5° | 180.0° |
| CB | CG | CD2 | HD2 | 2.5° | 0.1° |
| CB | CG | ND1 | CE1 | 177.7° | 179.9° |
| CG | CB | CA | C | 134.6° | 179.9° |
| CG | CB | CA | N | 42.7° | 60.0° |
| CG | CB | CA | HA | 104.2° | 60.0° |
| CA | CB | HB1 | HB2 | 118.3° | 120.0° |
| CA | CB | CG | CD2 | 107.9° | 120.1° |
| CA | CB | CG | ND1 | 69.4° | 60.3° |
| CB | CA | C | OP4 | 129.3° | 180.0° |
| CB | CA | C | N | 177.3° | 120.0° |
| CB | CA | C | HA | 106.5° | 120.0° |
| CB | CA | C | H41 | 4.1° | 59.9° |
| CB | CA | C | H42 | 105.4° | 60.0° |
| CB | CA | N | HA | 74.5° | 120.0° |
| CB | CA | N | HN1 | 180.0° | 60.0° |
| CB | CA | N | HN2 | 54.7° | 53.7° |
| HB1 | CB | CG | CD2 | 17.3° | 0.0° |
| HB1 | CB | CG | ND1 | 165.3° | 179.7° |
| HB1 | CB | CA | C | 100.2° | 60.0° |
| HB1 | CB | CA | N | 82.5° | 60.1° |
| HB1 | CB | CA | HA | 21.0° | 180.0° |
| HB2 | CB | CG | CD2 | 126.8° | 120.0° |
| HB2 | CB | CG | ND1 | 55.8° | 59.6° |
| HB2 | CB | CA | C | 9.3° | 60.0° |
| HB2 | CB | CA | N | 168.0° | 180.0° |
| HB2 | CB | CA | HA | 130.6° | 60.0° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.9° |
| CD2 | CG | ND1 | CE1 | 0.3° | 0.4° |
| CG | CD2 | NE2 | CE1 | 0.0° | 0.1° |
| CG | CD2 | NE2 | HE2 | 180.0° | 180.0° |
| ND1 | CG | CD2 | NE2 | 0.2° | 0.3° |
| ND1 | CG | CD2 | HD2 | 179.8° | 179.8° |
| CG | ND1 | CE1 | NE2 | 0.2° | 0.4° |
| CG | ND1 | CE1 | HE1 | 179.7° | 179.8° |
| CD2 | NE2 | CE1 | ND1 | 0.1° | 0.2° |
| CD2 | NE2 | CE1 | HE2 | 180.0° | 179.9° |
| CD2 | NE2 | CE1 | HE1 | 179.8° | 180.0° |
| HD2 | CD2 | NE2 | CE1 | 180.0° | 180.0° |
| HD2 | CD2 | NE2 | HE2 | 0.0° | 0.1° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.8° |
| ND1 | CE1 | NE2 | HE2 | 179.9° | 179.7° |
| HE1 | CE1 | NE2 | HE2 | 0.1° | 0.1° |
| OP4 | C | CA | H41 | 125.2° | 120.0° |
| OP4 | C | CA | H42 | 125.2° | 120.0° |
| OP4 | C | H41 | H42 | 114.3° | 120.0° |
| C | OP4 | P | OP1 | 71.9° | 59.9° |
| C | OP4 | P | OP2 | 169.4° | 180.0° |
| C | OP4 | P | OP3 | 56.2° | 60.1° |
| OP4 | C | CA | N | 48.0° | 60.0° |
| OP4 | C | CA | HA | 124.2° | 60.0° |
| CA | C | H41 | H42 | 114.2° | 120.0° |
| CA | C | OP4 | P | 88.6° | 179.9° |
| C | CA | N | HA | 108.3° | 120.0° |
| C | CA | N | HN1 | 2.7° | 60.0° |
| C | CA | N | HN2 | 128.0° | 173.8° |
| H41 | C | OP4 | P | 36.6° | 60.0° |
| H41 | C | CA | N | 173.2° | 180.0° |
| H41 | C | CA | HA | 110.6° | 60.0° |
| H42 | C | OP4 | P | 146.2° | 59.9° |
| H42 | C | CA | N | 77.2° | 60.0° |
| H42 | C | CA | HA | 1.1° | 180.0° |
| OP4 | P | OP1 | OP2 | 109.3° | 120.1° |
| OP4 | P | OP1 | OP3 | 123.4° | 120.0° |
| OP4 | P | OP2 | OP3 | 114.7° | 119.9° |
| OP4 | P | OP2 | HO2 | 179.9° | 179.9° |
| OP4 | P | OP3 | HO3 | 180.0° | 59.9° |
| OP1 | P | OP2 | OP3 | 132.2° | 120.0° |
| OP1 | P | OP2 | HO2 | 67.0° | 59.9° |
| OP1 | P | OP3 | HO3 | 58.3° | 180.0° |
| OP2 | P | OP3 | HO3 | 71.8° | 60.0° |
| OP3 | P | OP2 | HO2 | 65.2° | 60.0° |
| CA | N | HN1 | HN2 | 125.4° | 113.8° |
| HN1 | N | CA | HA | 105.6° | 180.0° |
| HN2 | N | CA | HA | 19.8° | 66.2° |
