AS9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | PAM | sing | 1.79Å | 1.79Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| PAM | OAG | doub | 1.50Å | 1.58Å | |
| PAM | N | sing | 1.66Å | 1.62Å | |
| PAM | OAD | sing | 1.62Å | 1.47Å | |
| OAD | HOAD | sing | 0.98Å | 0.95Å | |
| N | CA | sing | 1.44Å | 1.48Å | |
| N | H | sing | 1.02Å | 1.00Å | |
| CA | C | sing | 1.52Å | 1.58Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.26Å | |
| C | OXT | sing | 1.35Å | 1.25Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.56Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CG | OD2 | doub | 1.22Å | 1.26Å | |
| CG | OD1 | sing | 1.36Å | 1.26Å | |
| OD1 | HD1 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PAM | CAA | HAA1 | 109.5° | 110.1° |
| PAM | CAA | HAA2 | 109.5° | 110.1° |
| PAM | CAA | HAA3 | 109.5° | 110.1° |
| CAA | PAM | OAG | 108.1° | 111.2° |
| CAA | PAM | N | 107.3° | 106.1° |
| CAA | PAM | OAD | 109.3° | 101.0° |
| HAA1 | CAA | HAA2 | 109.5° | 108.8° |
| HAA1 | CAA | HAA3 | 109.5° | 108.8° |
| HAA2 | CAA | HAA3 | 109.5° | 108.9° |
| OAG | PAM | N | 103.9° | 117.8° |
| OAG | PAM | OAD | 110.5° | 112.2° |
| N | PAM | OAD | 117.3° | 107.0° |
| PAM | N | CA | 114.1° | 119.2° |
| PAM | N | H | 108.0° | 115.3° |
| PAM | OAD | HOAD | 109.5° | 118.7° |
| CA | N | H | 108.0° | 109.0° |
| N | CA | C | 109.5° | 111.3° |
| N | CA | CB | 108.2° | 111.1° |
| N | CA | HA | 111.9° | 105.9° |
| C | CA | CB | 114.0° | 110.2° |
| C | CA | HA | 105.9° | 106.8° |
| CA | C | O | 119.7° | 123.8° |
| CA | C | OXT | 116.9° | 113.4° |
| CB | CA | HA | 107.3° | 111.5° |
| CA | CB | CG | 117.2° | 112.9° |
| CA | CB | HB2 | 107.0° | 110.1° |
| CA | CB | HB3 | 105.2° | 110.1° |
| O | C | OXT | 123.4° | 122.8° |
| C | OXT | HXT | 109.5° | 111.9° |
| CG | CB | HB2 | 107.0° | 106.8° |
| CG | CB | HB3 | 105.2° | 108.4° |
| CB | CG | OD2 | 118.2° | 125.6° |
| CB | CG | OD1 | 116.5° | 111.4° |
| HB2 | CB | HB3 | 115.7° | 108.4° |
| OD2 | CG | OD1 | 125.3° | 123.0° |
| CG | OD1 | HD1 | 109.5° | 115.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| PAM | CAA | HAA1 | HAA2 | 120.0° | 120.7° |
| PAM | CAA | HAA1 | HAA3 | 120.0° | 120.7° |
| PAM | CAA | HAA2 | HAA3 | 120.0° | 120.8° |
| CAA | PAM | OAG | N | 113.8° | 122.7° |
| CAA | PAM | OAG | OAD | 119.5° | 112.3° |
| CAA | PAM | N | OAD | 123.4° | 107.3° |
| CAA | PAM | OAD | HOAD | 13.8° | 177.1° |
| CAA | PAM | N | CA | 173.3° | 167.3° |
| CAA | PAM | N | H | 53.3° | 60.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 118.5° |
| HAA1 | CAA | PAM | OAG | 53.1° | 117.9° |
| HAA1 | CAA | PAM | N | 58.4° | 11.4° |
| HAA1 | CAA | PAM | OAD | 173.4° | 122.8° |
| HAA2 | CAA | PAM | OAG | 173.1° | 122.1° |
| HAA2 | CAA | PAM | N | 61.6° | 108.6° |
| HAA2 | CAA | PAM | OAD | 66.6° | 2.9° |
| HAA3 | CAA | PAM | OAG | 66.9° | 2.1° |
| HAA3 | CAA | PAM | N | 178.4° | 131.3° |
| HAA3 | CAA | PAM | OAD | 53.4° | 117.2° |
| OAG | PAM | N | OAD | 122.3° | 127.5° |
| OAG | PAM | OAD | HOAD | 105.0° | 64.4° |
| OAG | PAM | N | CA | 72.4° | 67.5° |
| OAG | PAM | N | H | 167.6° | 65.2° |
| N | PAM | OAD | HOAD | 136.2° | 66.3° |
| PAM | N | CA | H | 120.0° | 135.3° |
| PAM | N | CA | C | 126.7° | 85.6° |
| PAM | N | CA | CB | 108.5° | 151.3° |
| PAM | N | CA | HA | 9.6° | 30.0° |
| OAD | PAM | N | CA | 49.9° | 60.0° |
| OAD | PAM | N | H | 70.2° | 167.3° |
| N | CA | C | CB | 121.4° | 123.6° |
| N | CA | C | HA | 120.9° | 115.1° |
| N | CA | CB | HA | 121.0° | 117.9° |
| N | CA | C | O | 25.5° | 4.9° |
| N | CA | C | OXT | 153.6° | 175.4° |
| N | CA | CB | CG | 162.7° | 57.9° |
| N | CA | CB | HB2 | 42.7° | 177.1° |
| N | CA | CB | HB3 | 80.9° | 63.5° |
| H | N | CA | C | 113.3° | 49.7° |
| H | N | CA | CB | 11.5° | 73.4° |
| H | N | CA | HA | 129.6° | 165.3° |
| C | CA | CB | HA | 116.9° | 118.4° |
| CA | C | O | OXT | 179.0° | 179.7° |
| CA | C | OXT | HXT | 179.0° | 179.8° |
| C | CA | CB | CG | 75.2° | 178.4° |
| C | CA | CB | HB2 | 164.8° | 59.1° |
| C | CA | CB | HB3 | 41.2° | 60.3° |
| CB | CA | C | O | 95.9° | 118.7° |
| CB | CA | C | OXT | 85.1° | 61.0° |
| CA | CB | CG | HB2 | 120.0° | 121.1° |
| CA | CB | CG | HB3 | 116.4° | 122.3° |
| CA | CB | HB2 | HB3 | 116.8° | 120.5° |
| CA | CB | CG | OD2 | 68.8° | 31.0° |
| CA | CB | CG | OD1 | 112.0° | 149.0° |
| HA | CA | C | O | 146.3° | 120.0° |
| HA | CA | C | OXT | 32.7° | 60.2° |
| HA | CA | CB | CG | 41.7° | 60.0° |
| HA | CA | CB | HB2 | 78.3° | 59.2° |
| HA | CA | CB | HB3 | 158.2° | 178.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CB | HB2 | HB3 | 116.8° | 116.6° |
| CB | CG | OD2 | OD1 | 179.1° | 179.9° |
| CB | CG | OD1 | HD1 | 179.1° | 179.9° |
| HB2 | CB | CG | OD2 | 51.2° | 90.1° |
| HB2 | CB | CG | OD1 | 128.0° | 89.8° |
| HB3 | CB | CG | OD2 | 174.8° | 153.3° |
| HB3 | CB | CG | OD1 | 4.4° | 26.7° |
| OD2 | CG | OD1 | HD1 | 0.0° | 0.0° |
