CQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C3 | sing | 1.34Å | 1.31Å | |
| C3 | CA3 | sing | 1.51Å | 1.44Å | |
| CA3 | N3 | sing | 1.47Å | 1.28Å | |
| N1 | CA1 | sing | 1.47Å | 1.45Å | |
| N3 | C2 | sing | 1.35Å | 1.31Å | |
| N3 | C1 | sing | 1.36Å | 1.36Å | |
| O2 | C2 | doub | 1.22Å | 1.36Å | |
| CA1 | C1 | sing | 1.51Å | 1.47Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| C2 | CA2 | sing | 1.48Å | 1.32Å | |
| C1 | N2 | doub | 1.30Å | 1.33Å | |
| CG1 | CB1 | sing | 1.53Å | 1.47Å | |
| CB1 | OG1 | sing | 1.43Å | 1.47Å | |
| CA2 | N2 | sing | 1.35Å | 1.33Å | |
| CA2 | CB2 | doub | 1.39Å | 1.32Å | |
| CB2 | CG2 | sing | 1.41Å | 1.42Å | |
| CG2 | CD1 | doub | 1.41Å | 1.40Å | Aromatic |
| CG2 | CD2 | sing | 1.41Å | 1.36Å | Aromatic |
| CD1 | CE1 | sing | 1.35Å | 1.38Å | Aromatic |
| CD2 | CE2 | doub | 1.35Å | 1.35Å | Aromatic |
| CE1 | CZ | doub | 1.47Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.47Å | 1.36Å | Aromatic |
| CZ | NW | sing | 1.32Å | 1.40Å | |
| NW | NX | doub | 1.12Å | 1.32Å | |
| NX | NY | doub | 1.12Å | 1.41Å | |
| CE1 | H12 | sing | 1.08Å | 1.08Å | |
| CD1 | H3 | sing | 1.08Å | 1.08Å | |
| CE2 | H4 | sing | 1.08Å | 1.08Å | |
| CD2 | H5 | sing | 1.08Å | 1.08Å | |
| CB2 | H7 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | doub | 1.21Å | 1.07Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CB1 | H18 | sing | 1.09Å | 1.10Å | |
| CG1 | H19 | sing | 1.09Å | 1.10Å | |
| CG1 | H20 | sing | 1.09Å | 1.10Å | |
| CG1 | H21 | sing | 1.09Å | 1.10Å | |
| OG1 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C3 | CA3 | 118.1° | 120.0° |
| OXT | C3 | O3 | 103.6° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| C3 | CA3 | N3 | 115.9° | 109.5° |
| C3 | CA3 | HA31 | 107.8° | 109.5° |
| C3 | CA3 | HA32 | 107.9° | 109.5° |
| CA3 | C3 | O3 | 103.7° | 120.0° |
| CA3 | N3 | C2 | 103.9° | 125.9° |
| CA3 | N3 | C1 | 149.0° | 125.9° |
| N3 | CA3 | HA31 | 107.9° | 109.4° |
| N3 | CA3 | HA32 | 107.9° | 109.5° |
| N1 | CA1 | C1 | 107.1° | 109.5° |
| N1 | CA1 | CB1 | 109.9° | 109.5° |
| N1 | CA1 | HA1 | 110.0° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| C2 | N3 | C1 | 105.3° | 108.2° |
| N3 | C2 | O2 | 119.5° | 127.5° |
| N3 | C2 | CA2 | 109.5° | 105.1° |
| N3 | C1 | CA1 | 125.5° | 124.4° |
| N3 | C1 | N2 | 110.1° | 111.3° |
| O2 | C2 | CA2 | 131.0° | 127.4° |
| C1 | CA1 | CB1 | 111.1° | 109.5° |
| CA1 | C1 | N2 | 124.0° | 124.3° |
| C1 | CA1 | HA1 | 109.7° | 109.5° |
| CA1 | CB1 | CG1 | 107.7° | 109.5° |
| CA1 | CB1 | OG1 | 110.6° | 109.4° |
| CB1 | CA1 | HA1 | 109.0° | 109.4° |
| CA1 | CB1 | H18 | 109.6° | 109.5° |
| C2 | CA2 | N2 | 109.9° | 105.8° |
| C2 | CA2 | CB2 | 124.2° | 127.1° |
| C1 | N2 | CA2 | 104.7° | 109.5° |
| CG1 | CB1 | OG1 | 108.0° | 109.5° |
| CG1 | CB1 | H18 | 110.5° | 109.5° |
| CB1 | CG1 | H19 | 109.5° | 109.5° |
| CB1 | CG1 | H20 | 109.5° | 109.5° |
| CB1 | CG1 | H21 | 109.5° | 109.5° |
| OG1 | CB1 | H18 | 110.5° | 109.5° |
| CB1 | OG1 | H22 | 109.5° | 114.0° |
| N2 | CA2 | CB2 | 125.8° | 127.1° |
| CA2 | CB2 | CG2 | 133.0° | 120.0° |
| CA2 | CB2 | H7 | 113.5° | 120.0° |
| CB2 | CG2 | CD1 | 122.6° | 119.3° |
| CB2 | CG2 | CD2 | 118.1° | 119.3° |
| CG2 | CB2 | H7 | 113.5° | 120.0° |
| CD1 | CG2 | CD2 | 119.3° | 121.4° |
| CG2 | CD1 | CE1 | 119.2° | 120.7° |
| CG2 | CD1 | H3 | 120.4° | 119.6° |
| CG2 | CD2 | CE2 | 121.4° | 120.6° |
| CG2 | CD2 | H5 | 119.3° | 119.7° |
| CD1 | CE1 | CZ | 119.9° | 119.3° |
| CD1 | CE1 | H12 | 120.1° | 120.4° |
| CE1 | CD1 | H3 | 120.4° | 119.7° |
| CD2 | CE2 | CZ | 120.7° | 119.3° |
| CD2 | CE2 | H4 | 119.7° | 120.3° |
| CE2 | CD2 | H5 | 119.3° | 119.7° |
| CE1 | CZ | CE2 | 119.5° | 118.7° |
| CE1 | CZ | NW | 123.0° | 120.6° |
| CZ | CE1 | H12 | 120.1° | 120.4° |
| CE2 | CZ | NW | 117.5° | 120.7° |
| CZ | CE2 | H4 | 119.7° | 120.4° |
| CZ | NW | NX | 122.7° | 120.0° |
| NW | NX | NY | 179.0° | 180.0° |
| HA31 | CA3 | HA32 | 109.4° | 109.5° |
| H | N1 | H2 | 109.4° | 111.0° |
| H19 | CG1 | H20 | 109.5° | 109.4° |
| H19 | CG1 | H21 | 109.4° | 109.4° |
| H20 | CG1 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C3 | CA3 | O3 | 113.9° | 180.0° |
| OXT | C3 | CA3 | N3 | 143.6° | 180.0° |
| OXT | C3 | CA3 | HA31 | 95.4° | 60.0° |
| OXT | C3 | CA3 | HA32 | 22.7° | 60.0° |
| C3 | CA3 | N3 | HA31 | 120.9° | 120.0° |
| C3 | CA3 | N3 | HA32 | 121.0° | 120.0° |
| C3 | CA3 | N3 | C2 | 157.5° | 90.0° |
| C3 | CA3 | N3 | C1 | 42.7° | 89.7° |
| C3 | CA3 | HA31 | HA32 | 117.1° | 120.0° |
| CA3 | C3 | OXT | HXT | 113.9° | 180.0° |
| CA3 | N3 | C2 | C1 | 169.4° | 179.7° |
| CA3 | N3 | C2 | O2 | 4.9° | 0.0° |
| CA3 | N3 | C1 | CA1 | 20.9° | 0.3° |
| CA3 | N3 | C2 | CA2 | 172.3° | 180.0° |
| CA3 | N3 | C1 | N2 | 166.3° | 179.8° |
| N3 | CA3 | HA31 | HA32 | 117.1° | 120.0° |
| N3 | CA3 | C3 | O3 | 29.8° | 0.0° |
| N1 | CA1 | C1 | N3 | 91.1° | 145.0° |
| N1 | CA1 | C1 | CB1 | 120.0° | 120.1° |
| N1 | CA1 | C1 | HA1 | 119.4° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 120.6° | 120.0° |
| N1 | CA1 | C1 | N2 | 97.0° | 35.5° |
| N1 | CA1 | CB1 | CG1 | 68.0° | 55.0° |
| N1 | CA1 | CB1 | OG1 | 49.8° | 65.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | H18 | 171.8° | 175.0° |
| N3 | C2 | O2 | CA2 | 176.4° | 180.0° |
| C2 | N3 | C1 | CA1 | 179.5° | 180.0° |
| C2 | N3 | C1 | N2 | 6.7° | 0.5° |
| N3 | C2 | CA2 | N2 | 1.8° | 0.0° |
| N3 | C2 | CA2 | CB2 | 178.5° | 179.7° |
| C2 | N3 | CA3 | HA31 | 81.5° | 150.1° |
| C2 | N3 | CA3 | HA32 | 36.6° | 30.0° |
| C1 | N3 | C2 | O2 | 174.2° | 179.7° |
| N3 | C1 | CA1 | N2 | 171.8° | 179.4° |
| N3 | C1 | CA1 | CB1 | 148.8° | 94.9° |
| C1 | N3 | C2 | CA2 | 2.9° | 0.3° |
| N3 | C1 | N2 | CA2 | 7.7° | 0.5° |
| C1 | N3 | CA3 | HA31 | 78.3° | 30.3° |
| C1 | N3 | CA3 | HA32 | 163.6° | 150.3° |
| N3 | C1 | CA1 | HA1 | 28.3° | 25.0° |
| O2 | C2 | CA2 | N2 | 178.5° | 180.0° |
| O2 | C2 | CA2 | CB2 | 4.8° | 0.3° |
| C1 | CA1 | CB1 | HA1 | 121.0° | 120.0° |
| C1 | CA1 | CB1 | CG1 | 173.6° | 175.0° |
| C1 | CA1 | CB1 | OG1 | 68.6° | 55.0° |
| CA1 | C1 | N2 | CA2 | 179.4° | 180.0° |
| C1 | CA1 | N1 | H | 180.0° | 60.1° |
| C1 | CA1 | N1 | H2 | 60.0° | 176.1° |
| C1 | CA1 | CB1 | H18 | 53.4° | 65.0° |
| CB1 | CA1 | C1 | N2 | 23.0° | 84.5° |
| CA1 | CB1 | CG1 | OG1 | 119.5° | 119.9° |
| CA1 | CB1 | CG1 | H18 | 119.6° | 120.0° |
| CA1 | CB1 | OG1 | H18 | 121.5° | 120.0° |
| CB1 | CA1 | N1 | H | 59.2° | 60.0° |
| CB1 | CA1 | N1 | H2 | 179.1° | 63.9° |
| CA1 | CB1 | CG1 | H19 | 180.0° | 60.0° |
| CA1 | CB1 | CG1 | H20 | 60.0° | 179.9° |
| CA1 | CB1 | CG1 | H21 | 60.0° | 60.0° |
| CA1 | CB1 | OG1 | H22 | 180.0° | 180.0° |
| C2 | CA2 | N2 | C1 | 5.8° | 0.3° |
| C2 | CA2 | N2 | CB2 | 176.6° | 179.8° |
| C2 | CA2 | CB2 | CG2 | 179.9° | 173.3° |
| C2 | CA2 | CB2 | H7 | 0.1° | 6.8° |
| C1 | N2 | CA2 | CB2 | 177.6° | 180.0° |
| N2 | C1 | CA1 | HA1 | 143.6° | 155.5° |
| CG1 | CB1 | OG1 | H18 | 120.9° | 120.0° |
| CG1 | CB1 | CA1 | HA1 | 52.6° | 65.0° |
| CB1 | CG1 | H19 | H20 | 120.0° | 120.0° |
| CB1 | CG1 | H19 | H21 | 120.0° | 120.0° |
| CB1 | CG1 | H20 | H21 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | H22 | 62.4° | 60.0° |
| OG1 | CB1 | CA1 | HA1 | 170.4° | 175.0° |
| OG1 | CB1 | CG1 | H19 | 60.5° | 60.0° |
| OG1 | CB1 | CG1 | H20 | 179.4° | 60.0° |
| OG1 | CB1 | CG1 | H21 | 59.5° | 179.9° |
| N2 | CA2 | CB2 | CG2 | 4.0° | 6.4° |
| N2 | CA2 | CB2 | H7 | 176.1° | 173.5° |
| CA2 | CB2 | CG2 | H7 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD1 | 0.7° | 9.0° |
| CA2 | CB2 | CG2 | CD2 | 179.2° | 171.3° |
| CB2 | CG2 | CD1 | CD2 | 179.9° | 179.6° |
| CB2 | CG2 | CD1 | CE1 | 178.9° | 180.0° |
| CB2 | CG2 | CD2 | CE2 | 179.3° | 180.0° |
| CB2 | CG2 | CD1 | H3 | 1.1° | 0.1° |
| CB2 | CG2 | CD2 | H5 | 0.7° | 0.1° |
| CG2 | CD1 | CE1 | H3 | 180.0° | 179.9° |
| CD1 | CG2 | CD2 | CE2 | 0.8° | 0.3° |
| CG2 | CD1 | CE1 | CZ | 1.0° | 0.0° |
| CG2 | CD1 | CE1 | H12 | 178.9° | 180.0° |
| CD1 | CG2 | CD2 | H5 | 179.2° | 179.7° |
| CD1 | CG2 | CB2 | H7 | 179.3° | 171.0° |
| CD2 | CG2 | CD1 | CE1 | 1.2° | 0.4° |
| CG2 | CD2 | CE2 | H5 | 180.0° | 179.9° |
| CG2 | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CD2 | CG2 | CD1 | H3 | 178.8° | 179.7° |
| CG2 | CD2 | CE2 | H4 | 179.8° | 179.9° |
| CD2 | CG2 | CB2 | H7 | 0.8° | 8.7° |
| CD1 | CE1 | CZ | H12 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.4° | 0.3° |
| CD1 | CE1 | CZ | NW | 179.6° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.3° |
| CD2 | CE2 | CZ | H4 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | NW | 179.2° | 180.0° |
| CE1 | CZ | CE2 | NW | 179.2° | 179.7° |
| CE1 | CZ | NW | NX | 17.7° | 180.0° |
| CZ | CE1 | CD1 | H3 | 179.0° | 179.9° |
| CE1 | CZ | CE2 | H4 | 180.0° | 179.7° |
| CE2 | CZ | NW | NX | 161.5° | 0.3° |
| CE2 | CZ | CE1 | H12 | 179.6° | 179.7° |
| CZ | CE2 | CD2 | H5 | 179.8° | 179.9° |
| CZ | NW | NX | NY | 10.4° | 6.7° |
| NW | CZ | CE1 | H12 | 0.4° | 0.0° |
| NW | CZ | CE2 | H4 | 0.8° | 0.1° |
| H12 | CE1 | CD1 | H3 | 1.1° | 0.0° |
| H4 | CE2 | CD2 | H5 | 0.2° | 0.0° |
| HA31 | CA3 | C3 | O3 | 150.7° | 119.9° |
| HA32 | CA3 | C3 | O3 | 91.2° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| HA1 | CA1 | N1 | H | 60.8° | 180.0° |
| HA1 | CA1 | N1 | H2 | 59.2° | 56.1° |
| HA1 | CA1 | CB1 | H18 | 67.6° | 55.0° |
| H18 | CB1 | CG1 | H19 | 60.4° | 180.0° |
| H18 | CB1 | CG1 | H20 | 59.7° | 60.0° |
| H18 | CB1 | CG1 | H21 | 179.6° | 60.0° |
| H18 | CB1 | OG1 | H22 | 58.5° | 60.0° |
| H19 | CG1 | H20 | H21 | 120.0° | 119.9° |
