OCQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CD2 | doub | 1.21Å | 1.22Å | |
| CD2 | CG | sing | 1.51Å | 1.52Å | |
| CD2 | NAH | sing | 1.34Å | 1.34Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å | |
| NAH | CAE | sing | 1.47Å | 1.47Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAE | CD1 | sing | 1.55Å | 1.54Å | |
| CD1 | CG | sing | 1.55Å | 1.54Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | CMK | sing | 1.51Å | 1.55Å | |
| C | O | doub | 1.21Å | 1.45Å | |
| CMK | OMP | sing | 1.43Å | 1.43Å | |
| CMK | HMK1 | sing | 1.09Å | 1.10Å | |
| CMK | HMK2 | sing | 1.09Å | 1.10Å | |
| OMP | HMP | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CD2 | CG | 122.8° | 124.9° |
| OAD | CD2 | NAH | 123.4° | 125.0° |
| CG | CD2 | NAH | 113.8° | 110.1° |
| CD2 | CG | CD1 | 101.6° | 104.2° |
| CD2 | CG | CB | 111.1° | 110.5° |
| CD2 | CG | HG | 121.2° | 110.5° |
| CD2 | NAH | HAH | 124.9° | 124.4° |
| CD2 | NAH | CAE | 110.3° | 111.3° |
| HAH | NAH | CAE | 124.8° | 124.3° |
| NAH | CAE | HAE1 | 111.0° | 110.3° |
| NAH | CAE | HAE2 | 111.8° | 110.2° |
| NAH | CAE | CD1 | 105.2° | 105.4° |
| HAE1 | CAE | HAE2 | 106.2° | 110.3° |
| HAE1 | CAE | CD1 | 110.9° | 110.3° |
| HAE2 | CAE | CD1 | 111.9° | 110.3° |
| CAE | CD1 | CG | 106.1° | 101.8° |
| CAE | CD1 | HD11 | 110.6° | 111.0° |
| CAE | CD1 | HD12 | 111.4° | 111.0° |
| CG | CD1 | HD11 | 110.6° | 111.1° |
| CG | CD1 | HD12 | 111.4° | 110.8° |
| CD1 | CG | CB | 125.4° | 110.5° |
| CD1 | CG | HG | 104.9° | 110.4° |
| HD11 | CD1 | HD12 | 106.8° | 110.9° |
| CB | CG | HG | 94.1° | 110.6° |
| CG | CB | CA | 107.7° | 109.4° |
| CG | CB | HB1 | 110.1° | 109.5° |
| CG | CB | HB2 | 110.5° | 109.5° |
| CA | CB | HB1 | 110.1° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.5° |
| CB | CA | C | 113.4° | 109.5° |
| CB | CA | HA | 101.3° | 109.5° |
| CB | CA | N | 115.1° | 109.5° |
| HB1 | CB | HB2 | 108.1° | 109.5° |
| C | CA | HA | 111.8° | 109.5° |
| C | CA | N | 105.4° | 109.4° |
| CA | C | CMK | 110.7° | 120.0° |
| CA | C | O | 110.9° | 120.0° |
| HA | CA | N | 110.0° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| H2 | N | H | 109.5° | 111.0° |
| CMK | C | O | 109.1° | 119.9° |
| C | CMK | OMP | 110.7° | 109.5° |
| C | CMK | HMK1 | 109.1° | 109.5° |
| C | CMK | HMK2 | 108.8° | 109.5° |
| OMP | CMK | HMK1 | 109.1° | 109.4° |
| OMP | CMK | HMK2 | 108.8° | 109.5° |
| CMK | OMP | HMP | 109.5° | 114.0° |
| HMK1 | CMK | HMK2 | 110.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CD2 | CG | NAH | 177.3° | 179.7° |
| OAD | CD2 | NAH | HAH | 1.1° | 0.3° |
| OAD | CD2 | NAH | CAE | 178.9° | 179.6° |
| OAD | CD2 | CG | CD1 | 167.9° | 163.8° |
| OAD | CD2 | CG | CB | 56.6° | 45.0° |
| OAD | CD2 | CG | HG | 52.3° | 77.6° |
| CG | CD2 | NAH | HAH | 178.4° | 179.4° |
| CG | CD2 | NAH | CAE | 1.6° | 0.6° |
| CD2 | CG | CD1 | CAE | 15.8° | 24.5° |
| CD2 | CG | CD1 | CB | 126.6° | 118.7° |
| CD2 | CG | CD1 | HG | 127.1° | 118.7° |
| CD2 | CG | CD1 | HD11 | 104.2° | 142.7° |
| CD2 | CG | CD1 | HD12 | 137.2° | 93.6° |
| CD2 | CG | CB | HG | 125.8° | 122.6° |
| CD2 | CG | CB | CA | 160.5° | 175.3° |
| CD2 | CG | CB | HB1 | 79.5° | 64.7° |
| CD2 | CG | CB | HB2 | 39.8° | 55.2° |
| CD2 | NAH | HAH | CAE | 180.0° | 180.0° |
| CD2 | NAH | CAE | HAE1 | 132.0° | 102.0° |
| CD2 | NAH | CAE | HAE2 | 109.6° | 136.1° |
| CD2 | NAH | CAE | CD1 | 12.0° | 17.0° |
| NAH | CD2 | CG | CD1 | 9.3° | 15.9° |
| NAH | CD2 | CG | CB | 126.2° | 134.7° |
| NAH | CD2 | CG | HG | 125.0° | 102.6° |
| HAH | NAH | CAE | HAE1 | 48.0° | 78.0° |
| HAH | NAH | CAE | HAE2 | 70.4° | 44.0° |
| HAH | NAH | CAE | CD1 | 168.0° | 163.0° |
| NAH | CAE | HAE1 | HAE2 | 121.7° | 122.0° |
| NAH | CAE | HAE1 | CD1 | 116.5° | 116.0° |
| NAH | CAE | HAE2 | CD1 | 117.7° | 116.0° |
| NAH | CAE | CD1 | CG | 17.4° | 25.2° |
| NAH | CAE | CD1 | HD11 | 102.6° | 143.5° |
| NAH | CAE | CD1 | HD12 | 138.7° | 92.7° |
| HAE1 | CAE | HAE2 | CD1 | 121.1° | 122.0° |
| HAE1 | CAE | CD1 | CG | 137.4° | 93.8° |
| HAE1 | CAE | CD1 | HD11 | 17.4° | 24.6° |
| HAE1 | CAE | CD1 | HD12 | 101.3° | 148.3° |
| HAE2 | CAE | CD1 | CG | 104.2° | 144.2° |
| HAE2 | CAE | CD1 | HD11 | 135.8° | 97.5° |
| HAE2 | CAE | CD1 | HD12 | 17.1° | 26.3° |
| CAE | CD1 | CG | HD11 | 120.0° | 118.2° |
| CAE | CD1 | CG | HD12 | 121.3° | 118.1° |
| CAE | CD1 | HD11 | HD12 | 121.4° | 123.8° |
| CAE | CD1 | CG | CB | 110.8° | 143.2° |
| CAE | CD1 | CG | HG | 142.9° | 94.1° |
| CG | CD1 | HD11 | HD12 | 121.4° | 123.6° |
| CD1 | CG | CB | HG | 111.6° | 122.5° |
| CD1 | CG | CB | CA | 76.9° | 69.9° |
| CD1 | CG | CB | HB1 | 43.1° | 50.1° |
| CD1 | CG | CB | HB2 | 162.4° | 170.1° |
| HD11 | CD1 | CG | CB | 129.2° | 98.5° |
| HD11 | CD1 | CG | HG | 22.9° | 24.1° |
| HD12 | CD1 | CG | CB | 10.6° | 25.2° |
| HD12 | CD1 | CG | HG | 95.8° | 147.8° |
| CG | CB | CA | HB1 | 120.0° | 120.0° |
| CG | CB | CA | HB2 | 120.7° | 120.0° |
| CG | CB | HB1 | HB2 | 120.7° | 120.0° |
| CG | CB | CA | C | 177.8° | 174.5° |
| CG | CB | CA | HA | 57.9° | 54.5° |
| CG | CB | CA | N | 60.7° | 65.5° |
| HG | CG | CB | CA | 34.7° | 52.6° |
| HG | CG | CB | HB1 | 154.8° | 172.6° |
| HG | CG | CB | HB2 | 86.0° | 67.4° |
| CA | CB | HB1 | HB2 | 120.7° | 120.1° |
| CB | CA | C | HA | 113.8° | 120.1° |
| CB | CA | C | N | 126.8° | 120.0° |
| CB | CA | HA | N | 122.2° | 120.0° |
| CB | CA | N | H2 | 45.3° | 53.9° |
| CB | CA | N | H | 74.7° | 70.0° |
| CB | CA | C | CMK | 164.2° | 75.0° |
| CB | CA | C | O | 43.0° | 105.0° |
| HB1 | CB | CA | C | 57.8° | 54.6° |
| HB1 | CB | CA | HA | 62.1° | 65.4° |
| HB1 | CB | CA | N | 179.3° | 174.5° |
| HB2 | CB | CA | C | 61.5° | 65.4° |
| HB2 | CB | CA | HA | 178.6° | 174.5° |
| HB2 | CB | CA | N | 60.0° | 54.5° |
| C | CA | HA | N | 116.7° | 120.0° |
| C | CA | N | H2 | 80.4° | 66.0° |
| C | CA | N | H | 159.5° | 170.1° |
| CA | C | CMK | O | 122.3° | 180.0° |
| CA | C | CMK | OMP | 95.9° | 180.0° |
| CA | C | CMK | HMK1 | 24.1° | 60.0° |
| CA | C | CMK | HMK2 | 144.6° | 59.9° |
| HA | CA | N | H2 | 158.9° | 174.0° |
| HA | CA | N | H | 38.9° | 50.1° |
| HA | CA | C | CMK | 50.4° | 45.1° |
| HA | CA | C | O | 70.8° | 135.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | C | CMK | 69.0° | 165.0° |
| N | CA | C | O | 169.8° | 15.0° |
| C | CMK | OMP | HMK1 | 120.0° | 120.0° |
| C | CMK | OMP | HMK2 | 119.5° | 120.1° |
| C | CMK | HMK1 | HMK2 | 119.5° | 120.0° |
| C | CMK | OMP | HMP | 26.9° | 180.0° |
| O | C | CMK | OMP | 141.8° | 0.0° |
| O | C | CMK | HMK1 | 98.2° | 120.0° |
| O | C | CMK | HMK2 | 22.3° | 120.1° |
| OMP | CMK | HMK1 | HMK2 | 119.5° | 120.0° |
| HMK1 | CMK | OMP | HMP | 146.9° | 60.0° |
| HMK2 | CMK | OMP | HMP | 92.6° | 59.9° |
