KCQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CD2 | doub | 1.21Å | 1.23Å | |
| CD2 | CG | sing | 1.51Å | 1.49Å | |
| CD2 | NAH | sing | 1.34Å | 1.33Å | |
| 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 | 1.55Å | |
| CD1 | CG | sing | 1.54Å | 1.54Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CMK | sing | 1.51Å | 1.50Å | |
| CMK | HMK1 | sing | 1.09Å | 1.10Å | |
| CMK | HMK2 | sing | 1.09Å | 1.10Å | |
| CMK | HMK3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CD2 | CG | 124.0° | 125.0° |
| OAD | CD2 | NAH | 126.3° | 124.9° |
| CG | CD2 | NAH | 109.7° | 110.2° |
| CD2 | CG | CD1 | 102.3° | 104.3° |
| CD2 | CG | CB | 108.6° | 110.5° |
| CD2 | CG | HG | 114.2° | 110.4° |
| CD2 | NAH | HAH | 121.5° | 124.4° |
| CD2 | NAH | CAE | 117.1° | 111.3° |
| HAH | NAH | CAE | 121.4° | 124.3° |
| NAH | CAE | HAE1 | 113.2° | 110.2° |
| NAH | CAE | HAE2 | 115.3° | 110.3° |
| NAH | CAE | CD1 | 98.9° | 105.5° |
| HAE1 | CAE | HAE2 | 101.6° | 110.2° |
| HAE1 | CAE | CD1 | 113.2° | 110.2° |
| HAE2 | CAE | CD1 | 115.3° | 110.3° |
| CAE | CD1 | CG | 108.2° | 101.8° |
| CAE | CD1 | HD11 | 109.9° | 111.0° |
| CAE | CD1 | HD12 | 110.2° | 110.9° |
| CG | CD1 | HD11 | 109.9° | 111.2° |
| CG | CD1 | HD12 | 110.2° | 110.8° |
| CD1 | CG | CB | 108.3° | 110.6° |
| CD1 | CG | HG | 114.5° | 110.4° |
| HD11 | CD1 | HD12 | 108.5° | 110.9° |
| CB | CG | HG | 108.7° | 110.5° |
| CG | CB | CA | 112.3° | 109.5° |
| CG | CB | HB1 | 108.6° | 109.4° |
| CG | CB | HB2 | 107.9° | 109.5° |
| CA | CB | HB1 | 108.5° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.4° |
| CB | CA | N | 108.5° | 109.5° |
| CB | CA | HA | 112.4° | 109.4° |
| CB | CA | C | 108.2° | 109.5° |
| HB1 | CB | HB2 | 111.7° | 109.5° |
| N | CA | HA | 107.0° | 109.5° |
| N | CA | C | 113.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| HA | CA | C | 107.3° | 109.5° |
| CA | C | O | 117.7° | 120.0° |
| CA | C | CMK | 119.2° | 120.0° |
| H | N | H2 | 109.4° | 111.1° |
| O | C | CMK | 123.1° | 120.0° |
| C | CMK | HMK1 | 109.5° | 109.5° |
| C | CMK | HMK2 | 109.5° | 109.5° |
| C | CMK | HMK3 | 109.5° | 109.5° |
| HMK1 | CMK | HMK2 | 109.4° | 109.6° |
| HMK1 | CMK | HMK3 | 109.5° | 109.4° |
| HMK2 | CMK | HMK3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CD2 | CG | NAH | 178.2° | 179.7° |
| OAD | CD2 | NAH | HAH | 0.4° | 0.3° |
| OAD | CD2 | NAH | CAE | 179.6° | 179.6° |
| OAD | CD2 | CG | CD1 | 167.8° | 163.8° |
| OAD | CD2 | CG | CB | 53.5° | 45.0° |
| OAD | CD2 | CG | HG | 68.0° | 77.6° |
| CG | CD2 | NAH | HAH | 177.7° | 179.3° |
| CG | CD2 | NAH | CAE | 2.3° | 0.7° |
| CD2 | CG | CD1 | CAE | 18.6° | 24.4° |
| CD2 | CG | CD1 | CB | 114.6° | 118.8° |
| CD2 | CG | CD1 | HG | 124.0° | 118.6° |
| CD2 | CG | CD1 | HD11 | 138.6° | 142.7° |
| CD2 | CG | CD1 | HD12 | 101.9° | 93.6° |
| CD2 | CG | CB | HG | 124.8° | 122.5° |
| CD2 | CG | CB | CA | 157.6° | 175.2° |
| CD2 | CG | CB | HB1 | 82.4° | 64.8° |
| CD2 | CG | CB | HB2 | 38.8° | 55.2° |
| CD2 | NAH | HAH | CAE | 180.0° | 180.0° |
| CD2 | NAH | CAE | HAE1 | 106.5° | 101.9° |
| CD2 | NAH | CAE | HAE2 | 137.1° | 136.1° |
| CD2 | NAH | CAE | CD1 | 13.5° | 17.0° |
| NAH | CD2 | CG | CD1 | 10.4° | 15.9° |
| NAH | CD2 | CG | CB | 124.7° | 134.7° |
| NAH | CD2 | CG | HG | 113.8° | 102.7° |
| HAH | NAH | CAE | HAE1 | 73.5° | 78.1° |
| HAH | NAH | CAE | HAE2 | 42.9° | 43.9° |
| HAH | NAH | CAE | CD1 | 166.5° | 163.0° |
| NAH | CAE | HAE1 | HAE2 | 124.3° | 122.0° |
| NAH | CAE | HAE1 | CD1 | 111.4° | 116.0° |
| NAH | CAE | HAE2 | CD1 | 114.4° | 116.1° |
| NAH | CAE | CD1 | CG | 19.0° | 25.2° |
| NAH | CAE | CD1 | HD11 | 139.0° | 143.6° |
| NAH | CAE | CD1 | HD12 | 101.5° | 92.7° |
| HAE1 | CAE | HAE2 | CD1 | 122.8° | 121.9° |
| HAE1 | CAE | CD1 | CG | 101.0° | 93.8° |
| HAE1 | CAE | CD1 | HD11 | 19.0° | 24.6° |
| HAE1 | CAE | CD1 | HD12 | 138.5° | 148.3° |
| HAE2 | CAE | CD1 | CG | 142.6° | 144.2° |
| HAE2 | CAE | CD1 | HD11 | 97.4° | 97.4° |
| HAE2 | CAE | CD1 | HD12 | 22.1° | 26.3° |
| CAE | CD1 | CG | HD11 | 120.0° | 118.2° |
| CAE | CD1 | CG | HD12 | 120.5° | 118.0° |
| CAE | CD1 | HD11 | HD12 | 120.5° | 123.7° |
| CAE | CD1 | CG | CB | 133.1° | 143.2° |
| CAE | CD1 | CG | HG | 105.4° | 94.2° |
| CG | CD1 | HD11 | HD12 | 120.5° | 123.7° |
| CD1 | CG | CB | HG | 124.9° | 122.5° |
| CD1 | CG | CB | CA | 92.1° | 69.8° |
| CD1 | CG | CB | HB1 | 27.9° | 50.1° |
| CD1 | CG | CB | HB2 | 149.1° | 170.2° |
| HD11 | CD1 | CG | CB | 106.9° | 98.5° |
| HD11 | CD1 | CG | HG | 14.6° | 24.1° |
| HD12 | CD1 | CG | CB | 12.6° | 25.2° |
| HD12 | CD1 | CG | HG | 134.1° | 147.8° |
| CG | CB | CA | HB1 | 120.0° | 120.0° |
| CG | CB | CA | HB2 | 118.8° | 120.0° |
| CG | CB | HB1 | HB2 | 118.9° | 120.0° |
| CG | CB | CA | N | 68.0° | 65.5° |
| CG | CB | CA | HA | 50.1° | 54.5° |
| CG | CB | CA | C | 168.5° | 174.5° |
| HG | CG | CB | CA | 32.8° | 52.7° |
| HG | CG | CB | HB1 | 152.8° | 172.6° |
| HG | CG | CB | HB2 | 86.0° | 67.3° |
| CA | CB | HB1 | HB2 | 118.8° | 120.0° |
| CB | CA | N | HA | 121.5° | 119.9° |
| CB | CA | N | C | 120.3° | 120.0° |
| CB | CA | HA | C | 118.9° | 120.0° |
| CB | CA | N | H | 44.1° | 54.1° |
| CB | CA | N | H2 | 75.9° | 70.0° |
| CB | CA | C | O | 30.6° | 105.0° |
| CB | CA | C | CMK | 150.2° | 75.0° |
| HB1 | CB | CA | N | 172.0° | 174.6° |
| HB1 | CB | CA | HA | 69.9° | 65.5° |
| HB1 | CB | CA | C | 48.5° | 54.5° |
| HB2 | CB | CA | N | 50.8° | 54.6° |
| HB2 | CB | CA | HA | 169.0° | 174.5° |
| HB2 | CB | CA | C | 72.7° | 65.5° |
| N | CA | HA | C | 122.1° | 120.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | O | 151.0° | 15.0° |
| N | CA | C | CMK | 29.7° | 165.0° |
| HA | CA | N | H | 165.6° | 174.0° |
| HA | CA | N | H2 | 45.6° | 50.0° |
| HA | CA | C | O | 91.0° | 135.1° |
| HA | CA | C | CMK | 88.3° | 45.0° |
| C | CA | N | H | 76.2° | 66.0° |
| C | CA | N | H2 | 163.8° | 170.0° |
| CA | C | O | CMK | 179.2° | 180.0° |
| CA | C | CMK | HMK1 | 47.3° | 0.1° |
| CA | C | CMK | HMK2 | 72.6° | 120.1° |
| CA | C | CMK | HMK3 | 167.3° | 120.0° |
| O | C | CMK | HMK1 | 133.4° | 180.0° |
| O | C | CMK | HMK2 | 106.6° | 59.9° |
| O | C | CMK | HMK3 | 13.4° | 60.0° |
| C | CMK | HMK1 | HMK2 | 120.0° | 120.1° |
| C | CMK | HMK1 | HMK3 | 120.0° | 120.0° |
| C | CMK | HMK2 | HMK3 | 120.0° | 120.0° |
| HMK1 | CMK | HMK2 | HMK3 | 120.0° | 120.0° |
