QLP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.23Å | 1.23Å | |
| C | CA | sing | 1.52Å | 1.52Å | |
| C | O | sing | 1.35Å | 1.24Å | |
| O | HO | sing | 0.98Å | 0.95Å | |
| CA | N | sing | 1.44Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.50Å | |
| CG | HG1 | sing | 1.10Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | NE2 | sing | 1.38Å | 1.35Å | |
| CD | OE1 | doub | 1.23Å | 1.23Å | |
| NE2 | HE21 | sing | 1.01Å | 1.00Å | |
| NE2 | HE22 | sing | 1.02Å | 1.00Å | |
| N | C4A | sing | 1.46Å | 1.48Å | |
| N | HN | sing | 1.03Å | 1.00Å | |
| C4A | C4 | sing | 1.50Å | 1.55Å | |
| C4A | H4A1 | sing | 1.10Å | 1.10Å | |
| C4A | H4A2 | sing | 1.10Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C5A | sing | 1.49Å | 1.52Å | |
| C5A | O4P | sing | 1.42Å | 1.44Å | |
| C5A | H5A1 | sing | 1.10Å | 1.10Å | |
| C5A | H5A2 | sing | 1.10Å | 1.10Å | |
| O4P | P | sing | 1.62Å | 1.63Å | |
| P | O3P | doub | 1.50Å | 1.51Å | |
| P | O1P | sing | 1.62Å | 1.53Å | |
| P | O2P | sing | 1.62Å | 1.46Å | |
| O2P | HO2P | sing | 0.98Å | 0.95Å | |
| O1P | HO1P | sing | 0.98Å | 0.95Å | |
| C6 | N1 | doub | 1.35Å | 1.36Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | C2A | sing | 1.49Å | 1.53Å | |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2A | H2A1 | sing | 1.10Å | 1.10Å | |
| C2A | H2A2 | sing | 1.10Å | 1.10Å | |
| C2A | H2A3 | sing | 1.10Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.26Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CA | 121.3° | 122.9° |
| OXT | C | O | 120.8° | 122.3° |
| CA | C | O | 117.8° | 114.7° |
| C | CA | N | 113.8° | 112.6° |
| C | CA | CB | 104.6° | 111.0° |
| C | CA | HA | 109.4° | 106.8° |
| C | O | HO | 109.5° | 115.0° |
| N | CA | CB | 107.9° | 111.4° |
| N | CA | HA | 106.2° | 105.5° |
| CA | N | C4A | 128.9° | 111.5° |
| CA | N | HN | 103.4° | 110.0° |
| CB | CA | HA | 115.1° | 109.3° |
| CA | CB | CG | 105.4° | 113.9° |
| CA | CB | HB1 | 110.9° | 109.2° |
| CA | CB | HB2 | 111.7° | 109.2° |
| CG | CB | HB1 | 110.9° | 109.2° |
| CG | CB | HB2 | 111.8° | 108.9° |
| CB | CG | CD | 110.2° | 110.6° |
| CB | CG | HG1 | 109.2° | 111.0° |
| CB | CG | HG2 | 109.1° | 111.1° |
| HB1 | CB | HB2 | 106.4° | 106.1° |
| CD | CG | HG1 | 109.2° | 108.8° |
| CD | CG | HG2 | 109.1° | 107.9° |
| CG | CD | NE2 | 117.3° | 113.5° |
| CG | CD | OE1 | 118.7° | 122.4° |
| HG1 | CG | HG2 | 110.0° | 107.2° |
| NE2 | CD | OE1 | 124.0° | 124.0° |
| CD | NE2 | HE21 | 107.7° | 118.8° |
| CD | NE2 | HE22 | 126.1° | 122.3° |
| HE21 | NE2 | HE22 | 126.1° | 118.8° |
| C4A | N | HN | 103.4° | 108.5° |
| N | C4A | C4 | 113.6° | 112.0° |
| N | C4A | H4A1 | 108.1° | 107.9° |
| N | C4A | H4A2 | 107.2° | 107.8° |
| C4 | C4A | H4A1 | 108.1° | 110.7° |
| C4 | C4A | H4A2 | 107.2° | 111.0° |
| C4A | C4 | C5 | 120.8° | 120.0° |
| C4A | C4 | C3 | 122.8° | 119.8° |
| H4A1 | C4A | H4A2 | 112.8° | 107.3° |
| C5 | C4 | C3 | 116.4° | 120.2° |
| C4 | C5 | C6 | 121.4° | 117.6° |
| C4 | C5 | C5A | 120.7° | 122.2° |
| C4 | C3 | C2 | 121.0° | 117.7° |
| C4 | C3 | O3 | 119.8° | 121.3° |
| C6 | C5 | C5A | 117.8° | 120.1° |
| C5 | C6 | N1 | 120.2° | 124.1° |
| C5 | C6 | H6 | 119.9° | 121.3° |
| C5 | C5A | O4P | 108.2° | 109.5° |
| C5 | C5A | H5A1 | 109.9° | 111.5° |
| C5 | C5A | H5A2 | 110.2° | 111.2° |
| O4P | C5A | H5A1 | 109.9° | 108.6° |
| O4P | C5A | H5A2 | 110.1° | 108.7° |
| C5A | O4P | P | 122.4° | 118.3° |
| H5A1 | C5A | H5A2 | 108.5° | 107.3° |
| O4P | P | O3P | 108.4° | 115.1° |
| O4P | P | O1P | 102.6° | 102.7° |
| O4P | P | O2P | 106.3° | 103.8° |
| O3P | P | O1P | 113.7° | 115.0° |
| O3P | P | O2P | 113.8° | 115.3° |
| O1P | P | O2P | 111.2° | 103.3° |
| P | O1P | HO1P | 109.5° | 119.0° |
| P | O2P | HO2P | 109.5° | 118.9° |
| N1 | C6 | H6 | 119.9° | 114.7° |
| C6 | N1 | C2 | 120.3° | 116.4° |
| N1 | C2 | C2A | 118.8° | 115.9° |
| N1 | C2 | C3 | 120.7° | 124.0° |
| C2A | C2 | C3 | 120.4° | 120.1° |
| C2 | C2A | H2A1 | 109.5° | 110.3° |
| C2 | C2A | H2A2 | 109.5° | 111.2° |
| C2 | C2A | H2A3 | 109.5° | 111.2° |
| C2 | C3 | O3 | 119.2° | 121.1° |
| H2A1 | C2A | H2A2 | 109.5° | 108.6° |
| H2A1 | C2A | H2A3 | 109.4° | 108.6° |
| H2A2 | C2A | H2A3 | 109.5° | 106.9° |
| C3 | O3 | HO3 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 176.9° | 177.8° |
| OXT | C | O | HO | 0.0° | 0.0° |
| OXT | C | CA | N | 6.0° | 64.7° |
| OXT | C | CA | CB | 123.6° | 61.0° |
| OXT | C | CA | HA | 112.6° | 180.0° |
| CA | C | O | HO | 177.0° | 177.8° |
| C | CA | N | CB | 115.6° | 125.5° |
| C | CA | N | HA | 120.4° | 116.1° |
| C | CA | CB | HA | 120.1° | 117.5° |
| C | CA | CB | CG | 73.6° | 62.5° |
| C | CA | CB | HB1 | 166.4° | 59.9° |
| C | CA | CB | HB2 | 47.9° | 175.5° |
| C | CA | N | C4A | 161.5° | 59.6° |
| C | CA | N | HN | 78.5° | 180.0° |
| O | C | CA | N | 170.9° | 117.5° |
| O | C | CA | CB | 53.4° | 116.8° |
| O | C | CA | HA | 70.5° | 2.2° |
| N | CA | CB | HA | 118.4° | 116.1° |
| N | CA | CB | CG | 47.8° | 171.1° |
| N | CA | CB | HB1 | 72.1° | 66.4° |
| N | CA | CB | HB2 | 169.4° | 49.2° |
| CA | N | C4A | HN | 120.0° | 121.3° |
| CA | N | C4A | C4 | 157.2° | 178.7° |
| CA | N | C4A | H4A1 | 37.2° | 56.6° |
| CA | N | C4A | H4A2 | 84.6° | 58.9° |
| CA | CB | CG | HB1 | 120.0° | 122.4° |
| CA | CB | CG | HB2 | 121.6° | 122.1° |
| CA | CB | HB1 | HB2 | 121.7° | 117.6° |
| CA | CB | CG | CD | 157.5° | 177.6° |
| CA | CB | CG | HG1 | 82.6° | 61.5° |
| CA | CB | CG | HG2 | 37.8° | 57.7° |
| CB | CA | N | C4A | 82.8° | 175.0° |
| CB | CA | N | HN | 37.2° | 54.6° |
| HA | CA | CB | CG | 166.3° | 55.0° |
| HA | CA | CB | HB1 | 46.3° | 177.4° |
| HA | CA | CB | HB2 | 72.2° | 67.0° |
| HA | CA | N | C4A | 41.1° | 56.5° |
| HA | CA | N | HN | 161.1° | 63.9° |
| CG | CB | HB1 | HB2 | 121.7° | 117.2° |
| CB | CG | CD | HG1 | 120.0° | 122.2° |
| CB | CG | CD | HG2 | 119.7° | 121.7° |
| CB | CG | HG1 | HG2 | 119.7° | 121.5° |
| CB | CG | CD | NE2 | 175.8° | 180.0° |
| CB | CG | CD | OE1 | 4.1° | 0.7° |
| HB1 | CB | CG | CD | 37.5° | 60.0° |
| HB1 | CB | CG | HG1 | 157.5° | 60.9° |
| HB1 | CB | CG | HG2 | 82.2° | 179.8° |
| HB2 | CB | CG | CD | 81.0° | 55.4° |
| HB2 | CB | CG | HG1 | 39.0° | 176.4° |
| HB2 | CB | CG | HG2 | 159.3° | 64.4° |
| CD | CG | HG1 | HG2 | 119.7° | 116.5° |
| CG | CD | NE2 | OE1 | 179.9° | 179.3° |
| CG | CD | NE2 | HE21 | 0.0° | 179.5° |
| CG | CD | NE2 | HE22 | 180.0° | 0.6° |
| HG1 | CG | CD | NE2 | 64.2° | 57.8° |
| HG1 | CG | CD | OE1 | 115.9° | 121.5° |
| HG2 | CG | CD | NE2 | 56.1° | 58.2° |
| HG2 | CG | CD | OE1 | 123.8° | 122.5° |
| CD | NE2 | HE21 | HE22 | 180.0° | 179.9° |
| OE1 | CD | NE2 | HE21 | 179.9° | 0.2° |
| OE1 | CD | NE2 | HE22 | 0.1° | 179.9° |
| N | C4A | C4 | H4A1 | 120.0° | 120.5° |
| N | C4A | C4 | H4A2 | 118.2° | 120.5° |
| N | C4A | H4A1 | H4A2 | 118.3° | 115.9° |
| N | C4A | C4 | C5 | 132.4° | 90.0° |
| N | C4A | C4 | C3 | 46.5° | 90.0° |
| HN | N | C4A | C4 | 82.8° | 60.0° |
| HN | N | C4A | H4A1 | 157.2° | 177.9° |
| HN | N | C4A | H4A2 | 35.4° | 62.4° |
| C4 | C4A | H4A1 | H4A2 | 118.3° | 121.2° |
| C4A | C4 | C5 | C3 | 179.0° | 180.0° |
| C4A | C4 | C5 | C6 | 177.2° | 180.0° |
| C4A | C4 | C5 | C5A | 0.4° | 0.0° |
| C4A | C4 | C3 | C2 | 178.5° | 180.0° |
| C4A | C4 | C3 | O3 | 0.6° | 0.0° |
| H4A1 | C4A | C4 | C5 | 107.6° | 30.5° |
| H4A1 | C4A | C4 | C3 | 73.5° | 149.5° |
| H4A2 | C4A | C4 | C5 | 14.2° | 149.5° |
| H4A2 | C4A | C4 | C3 | 164.7° | 30.5° |
| C4 | C5 | C6 | C5A | 176.9° | 180.0° |
| C4 | C5 | C5A | O4P | 85.5° | 90.0° |
| C4 | C5 | C5A | H5A1 | 154.5° | 30.2° |
| C4 | C5 | C5A | H5A2 | 35.0° | 149.9° |
| C4 | C5 | C6 | N1 | 3.4° | 0.1° |
| C4 | C5 | C6 | H6 | 176.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | O3 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.1° |
| C3 | C4 | C5 | C5A | 178.6° | 180.0° |
| C4 | C3 | C2 | N1 | 0.8° | 0.0° |
| C4 | C3 | C2 | C2A | 178.4° | 180.0° |
| C4 | C3 | C2 | O3 | 179.0° | 180.0° |
| C4 | C3 | O3 | HO3 | 164.2° | 157.0° |
| C6 | C5 | C5A | O4P | 97.6° | 90.0° |
| C6 | C5 | C5A | H5A1 | 22.4° | 149.8° |
| C6 | C5 | C5A | H5A2 | 141.9° | 30.1° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 3.6° | 0.0° |
| C5 | C5A | O4P | H5A1 | 120.0° | 122.0° |
| C5 | C5A | O4P | H5A2 | 120.5° | 121.7° |
| C5 | C5A | H5A1 | H5A2 | 120.5° | 122.0° |
| C5 | C5A | O4P | P | 178.2° | 180.0° |
| C5A | C5 | C6 | N1 | 179.7° | 180.0° |
| C5A | C5 | C6 | H6 | 0.3° | 0.0° |
| O4P | C5A | H5A1 | H5A2 | 120.5° | 117.3° |
| C5A | O4P | P | O3P | 38.2° | 180.0° |
| C5A | O4P | P | O1P | 158.8° | 54.3° |
| C5A | O4P | P | O2P | 84.4° | 53.1° |
| H5A1 | C5A | O4P | P | 61.8° | 58.1° |
| H5A2 | C5A | O4P | P | 57.7° | 58.3° |
| O4P | P | O3P | O1P | 113.4° | 119.1° |
| O4P | P | O3P | O2P | 118.0° | 120.8° |
| O4P | P | O1P | O2P | 113.2° | 107.8° |
| O4P | P | O2P | HO2P | 109.4° | 175.6° |
| O4P | P | O1P | HO1P | 58.7° | 173.7° |
| O3P | P | O1P | O2P | 130.0° | 126.5° |
| O3P | P | O2P | HO2P | 131.4° | 48.8° |
| O3P | P | O1P | HO1P | 58.2° | 47.9° |
| O1P | P | O2P | HO2P | 1.5° | 77.5° |
| O2P | P | O1P | HO1P | 171.9° | 78.5° |
| C6 | N1 | C2 | C2A | 180.0° | 180.0° |
| C6 | N1 | C2 | C3 | 2.3° | 0.0° |
| H6 | C6 | N1 | C2 | 176.4° | 180.0° |
| N1 | C2 | C2A | C3 | 177.7° | 180.0° |
| N1 | C2 | C2A | H2A1 | 19.8° | 80.6° |
| N1 | C2 | C2A | H2A2 | 100.3° | 39.9° |
| N1 | C2 | C2A | H2A3 | 139.7° | 158.9° |
| N1 | C2 | C3 | O3 | 179.8° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 122.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 122.1° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 121.5° |
| C2A | C2 | C3 | O3 | 2.6° | 0.1° |
| C3 | C2 | C2A | H2A1 | 162.6° | 99.4° |
| C3 | C2 | C2A | H2A2 | 77.4° | 140.1° |
| C3 | C2 | C2A | H2A3 | 42.6° | 21.2° |
| C2 | C3 | O3 | HO3 | 14.8° | 23.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 117.0° |
