CRQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | doub | 1.29Å | 1.29Å | |
| N1 | H | sing | 0.97Å | 1.00Å | |
| CA1 | CB1 | sing | 1.51Å | 1.52Å | |
| CA1 | C1 | sing | 1.47Å | 1.44Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD3 | sing | 1.51Å | 1.51Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| C1 | N2 | doub | 1.31Å | 1.34Å | |
| C1 | N3 | sing | 1.38Å | 1.41Å | |
| N2 | CA2 | sing | 1.35Å | 1.37Å | |
| N3 | C2 | sing | 1.35Å | 1.41Å | |
| N3 | CA3 | sing | 1.47Å | 1.51Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | CA2 | sing | 1.47Å | 1.48Å | |
| CA2 | CB2 | doub | 1.38Å | 1.41Å | |
| CA3 | C3 | sing | 1.51Å | 1.53Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | CG2 | sing | 1.46Å | 1.41Å | |
| CB2 | HB1 | sing | 1.08Å | 1.08Å | |
| CG2 | CD1 | doub | 1.40Å | 1.48Å | Aromatic |
| CG2 | CD2 | sing | 1.40Å | 1.47Å | Aromatic |
| CD1 | CE1 | sing | 1.37Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.37Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.47Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.48Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.25Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| OE1 | CD3 | doub | 1.21Å | 1.23Å | |
| C3 | O3 | doub | 1.21Å | 1.23Å | |
| C3 | OXT | sing | 1.34Å | 1.35Å | |
| CD3 | NE1 | sing | 1.35Å | 1.36Å | |
| NE1 | HE11 | sing | 0.97Å | 1.00Å | |
| NE1 | HE12 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | H | 112.0° | 120.0° |
| N1 | CA1 | CB1 | 121.0° | 120.0° |
| N1 | CA1 | C1 | 120.1° | 120.0° |
| CB1 | CA1 | C1 | 119.0° | 120.0° |
| CA1 | CB1 | CG1 | 114.5° | 109.5° |
| CA1 | CB1 | HB11 | 108.2° | 109.5° |
| CA1 | CB1 | HB12 | 108.2° | 109.5° |
| CA1 | C1 | N2 | 120.8° | 124.6° |
| CA1 | C1 | N3 | 127.8° | 124.6° |
| CG1 | CB1 | HB11 | 108.2° | 109.5° |
| CG1 | CB1 | HB12 | 108.2° | 109.5° |
| CB1 | CG1 | CD3 | 119.7° | 109.5° |
| CB1 | CG1 | HG11 | 106.9° | 109.5° |
| CB1 | CG1 | HG12 | 106.9° | 109.5° |
| HB11 | CB1 | HB12 | 109.4° | 109.4° |
| CD3 | CG1 | HG11 | 106.8° | 109.4° |
| CD3 | CG1 | HG12 | 106.9° | 109.4° |
| CG1 | CD3 | OE1 | 117.4° | 120.0° |
| CG1 | CD3 | NE1 | 119.6° | 120.0° |
| HG11 | CG1 | HG12 | 109.5° | 109.5° |
| N2 | C1 | N3 | 111.4° | 110.8° |
| C1 | N2 | CA2 | 107.4° | 109.5° |
| C1 | N3 | C2 | 107.8° | 108.0° |
| C1 | N3 | CA3 | 126.7° | 126.0° |
| N2 | CA2 | C2 | 110.0° | 106.2° |
| N2 | CA2 | CB2 | 128.3° | 126.9° |
| C2 | N3 | CA3 | 125.5° | 126.0° |
| N3 | C2 | O2 | 125.7° | 127.3° |
| N3 | C2 | CA2 | 103.4° | 105.4° |
| N3 | CA3 | C3 | 125.1° | 109.5° |
| N3 | CA3 | HA31 | 105.4° | 109.5° |
| N3 | CA3 | HA32 | 105.5° | 109.5° |
| O2 | C2 | CA2 | 130.8° | 127.3° |
| C2 | CA2 | CB2 | 121.7° | 126.9° |
| CA2 | CB2 | CG2 | 132.1° | 120.0° |
| CA2 | CB2 | HB1 | 114.0° | 120.0° |
| C3 | CA3 | HA31 | 105.4° | 109.4° |
| C3 | CA3 | HA32 | 105.4° | 109.4° |
| CA3 | C3 | O3 | 108.0° | 120.0° |
| CA3 | C3 | OXT | 119.4° | 120.0° |
| HA31 | CA3 | HA32 | 109.4° | 109.5° |
| CG2 | CB2 | HB1 | 113.9° | 120.0° |
| CB2 | CG2 | CD1 | 125.6° | 120.1° |
| CB2 | CG2 | CD2 | 117.9° | 120.2° |
| CD1 | CG2 | CD2 | 116.5° | 119.7° |
| CG2 | CD1 | CE1 | 121.8° | 119.9° |
| CG2 | CD1 | HD1 | 119.1° | 120.1° |
| CG2 | CD2 | CE2 | 121.8° | 119.8° |
| CG2 | CD2 | HD2 | 119.1° | 120.1° |
| CE1 | CD1 | HD1 | 119.1° | 120.0° |
| CD1 | CE1 | CZ | 121.6° | 120.2° |
| CD1 | CE1 | HE1 | 119.2° | 119.9° |
| CE2 | CD2 | HD2 | 119.1° | 120.1° |
| CD2 | CE2 | CZ | 121.9° | 120.2° |
| CD2 | CE2 | HE2 | 119.0° | 119.9° |
| CZ | CE1 | HE1 | 119.2° | 119.9° |
| CE1 | CZ | CE2 | 116.4° | 120.2° |
| CE1 | CZ | OH | 121.8° | 119.9° |
| CZ | CE2 | HE2 | 119.1° | 119.9° |
| CE2 | CZ | OH | 121.8° | 119.9° |
| CZ | OH | HH | 109.5° | 114.0° |
| OE1 | CD3 | NE1 | 123.0° | 120.0° |
| O3 | C3 | OXT | 120.0° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| CD3 | NE1 | HE11 | 120.0° | 120.0° |
| CD3 | NE1 | HE12 | 120.0° | 120.0° |
| HE11 | NE1 | HE12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | CA1 | CB1 | C1 | 178.0° | 179.9° |
| N1 | CA1 | CB1 | CG1 | 28.2° | 4.9° |
| N1 | CA1 | CB1 | HB11 | 92.5° | 125.0° |
| N1 | CA1 | CB1 | HB12 | 149.0° | 115.1° |
| N1 | CA1 | C1 | N2 | 172.7° | 5.5° |
| N1 | CA1 | C1 | N3 | 7.4° | 174.7° |
| H | N1 | CA1 | CB1 | 177.9° | 175.0° |
| H | N1 | CA1 | C1 | 0.0° | 4.9° |
| CA1 | CB1 | CG1 | HB11 | 120.8° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 120.7° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 117.7° | 120.0° |
| CA1 | CB1 | CG1 | CD3 | 174.2° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 52.8° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 64.4° | 60.0° |
| CB1 | CA1 | C1 | N2 | 9.3° | 174.4° |
| CB1 | CA1 | C1 | N3 | 170.6° | 5.4° |
| C1 | CA1 | CB1 | CG1 | 149.7° | 175.1° |
| C1 | CA1 | CB1 | HB11 | 89.5° | 55.1° |
| C1 | CA1 | CB1 | HB12 | 29.0° | 64.8° |
| CA1 | C1 | N2 | N3 | 179.9° | 179.8° |
| CA1 | C1 | N2 | CA2 | 179.8° | 180.0° |
| CA1 | C1 | N3 | C2 | 179.5° | 180.0° |
| CA1 | C1 | N3 | CA3 | 3.4° | 0.1° |
| CG1 | CB1 | HB11 | HB12 | 117.7° | 120.0° |
| CB1 | CG1 | CD3 | HG11 | 121.5° | 120.0° |
| CB1 | CG1 | CD3 | HG12 | 121.4° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 115.4° | 120.0° |
| CB1 | CG1 | CD3 | OE1 | 44.3° | 0.0° |
| CB1 | CG1 | CD3 | NE1 | 136.7° | 180.0° |
| HB11 | CB1 | CG1 | CD3 | 65.0° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 173.5° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 56.4° | 60.0° |
| HB12 | CB1 | CG1 | CD3 | 53.5° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 68.0° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 174.9° | 180.0° |
| CD3 | CG1 | HG11 | HG12 | 115.4° | 119.9° |
| CG1 | CD3 | OE1 | NE1 | 178.9° | 180.0° |
| CG1 | CD3 | NE1 | HE11 | 178.9° | 0.0° |
| CG1 | CD3 | NE1 | HE12 | 1.1° | 180.0° |
| HG11 | CG1 | CD3 | OE1 | 165.8° | 120.0° |
| HG11 | CG1 | CD3 | NE1 | 15.2° | 60.0° |
| HG12 | CG1 | CD3 | OE1 | 77.1° | 120.0° |
| HG12 | CG1 | CD3 | NE1 | 101.9° | 60.0° |
| N2 | C1 | N3 | C2 | 0.4° | 0.2° |
| N2 | C1 | N3 | CA3 | 176.7° | 179.7° |
| C1 | N2 | CA2 | C2 | 0.8° | 0.1° |
| C1 | N2 | CA2 | CB2 | 179.3° | 180.0° |
| N3 | C1 | N2 | CA2 | 0.3° | 0.2° |
| C1 | N3 | C2 | CA3 | 177.1° | 179.9° |
| C1 | N3 | C2 | O2 | 179.8° | 180.0° |
| C1 | N3 | C2 | CA2 | 0.8° | 0.1° |
| C1 | N3 | CA3 | C3 | 76.3° | 84.6° |
| C1 | N3 | CA3 | HA31 | 161.6° | 155.4° |
| C1 | N3 | CA3 | HA32 | 45.8° | 35.4° |
| N2 | CA2 | C2 | N3 | 1.0° | 0.0° |
| N2 | CA2 | C2 | O2 | 179.6° | 179.9° |
| N2 | CA2 | C2 | CB2 | 179.9° | 179.9° |
| N2 | CA2 | CB2 | CG2 | 2.7° | 6.6° |
| N2 | CA2 | CB2 | HB1 | 177.3° | 173.5° |
| N3 | C2 | O2 | CA2 | 179.2° | 179.9° |
| N3 | C2 | CA2 | CB2 | 179.1° | 179.9° |
| C2 | N3 | CA3 | C3 | 107.1° | 95.5° |
| C2 | N3 | CA3 | HA31 | 15.0° | 24.5° |
| C2 | N3 | CA3 | HA32 | 130.7° | 144.5° |
| CA3 | N3 | C2 | O2 | 3.1° | 0.1° |
| CA3 | N3 | C2 | CA2 | 176.3° | 179.8° |
| N3 | CA3 | C3 | HA31 | 122.1° | 120.0° |
| N3 | CA3 | C3 | HA32 | 122.1° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 113.0° | 120.1° |
| N3 | CA3 | C3 | O3 | 117.9° | 0.0° |
| N3 | CA3 | C3 | OXT | 23.9° | 180.0° |
| O2 | C2 | CA2 | CB2 | 0.3° | 0.0° |
| C2 | CA2 | CB2 | CG2 | 177.4° | 173.3° |
| C2 | CA2 | CB2 | HB1 | 2.6° | 6.6° |
| CA2 | CB2 | CG2 | HB1 | 180.0° | 179.9° |
| CA2 | CB2 | CG2 | CD1 | 1.8° | 6.4° |
| CA2 | CB2 | CG2 | CD2 | 179.0° | 173.8° |
| C3 | CA3 | HA31 | HA32 | 113.0° | 119.9° |
| CA3 | C3 | O3 | OXT | 141.6° | 180.0° |
| CA3 | C3 | OXT | HXT | 137.3° | 180.0° |
| HA31 | CA3 | C3 | O3 | 4.2° | 120.0° |
| HA31 | CA3 | C3 | OXT | 146.0° | 59.9° |
| HA32 | CA3 | C3 | O3 | 120.0° | 120.0° |
| HA32 | CA3 | C3 | OXT | 98.2° | 60.0° |
| CB2 | CG2 | CD1 | CD2 | 179.2° | 179.8° |
| CB2 | CG2 | CD1 | CE1 | 179.4° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 0.6° | 0.0° |
| CB2 | CG2 | CD2 | CE2 | 179.5° | 180.0° |
| CB2 | CG2 | CD2 | HD2 | 0.5° | 0.1° |
| HB1 | CB2 | CG2 | CD1 | 178.2° | 173.6° |
| HB1 | CB2 | CG2 | CD2 | 1.0° | 6.2° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 0.2° | 0.2° |
| CD1 | CG2 | CD2 | HD2 | 179.8° | 179.8° |
| CG2 | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CG2 | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CD2 | CG2 | CD1 | CE1 | 0.1° | 0.2° |
| CD2 | CG2 | CD1 | HD1 | 179.9° | 179.8° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CG2 | CD2 | CE2 | HE2 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.2° |
| CD1 | CE1 | CZ | OH | 180.0° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 180.0° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.0° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | OH | 179.9° | 179.8° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 179.7° |
| CE1 | CZ | OH | HH | 180.0° | 90.1° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 179.8° |
| HE1 | CE1 | CZ | OH | 0.0° | 0.0° |
| CE2 | CZ | OH | HH | 0.1° | 89.8° |
| HE2 | CE2 | CZ | OH | 0.1° | 0.1° |
| OE1 | CD3 | NE1 | HE11 | 0.0° | 180.0° |
| OE1 | CD3 | NE1 | HE12 | 180.0° | 0.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| CD3 | NE1 | HE11 | HE12 | 180.0° | 180.0° |
