CQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.63Å | |
| C3 | CA3 | sing | 1.51Å | 1.49Å | |
| CA3 | N3 | sing | 1.47Å | 1.46Å | |
| N1 | CA1 | sing | 1.47Å | 1.48Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| N3 | C1 | sing | 1.37Å | 1.33Å | |
| O2 | C2 | doub | 1.22Å | 1.46Å | |
| CA1 | C1 | sing | 1.51Å | 1.51Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| C2 | CA2 | sing | 1.47Å | 1.31Å | |
| C1 | N2 | doub | 1.30Å | 1.32Å | |
| CG1 | CB1 | sing | 1.53Å | 1.52Å | |
| CB1 | OG1 | sing | 1.43Å | 1.43Å | |
| CA2 | N2 | sing | 1.37Å | 1.36Å | |
| CA2 | CB2 | doub | 1.38Å | 1.33Å | |
| CB2 | CG2 | sing | 1.46Å | 1.38Å | |
| CG2 | CD2 | doub | 1.40Å | 1.40Å | Aromatic |
| CG2 | CD1 | sing | 1.40Å | 1.40Å | Aromatic |
| CD2 | CE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD1 | CE1 | doub | 1.37Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.39Å | 1.40Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.38Å | Aromatic |
| CZ | NH | sing | 1.39Å | 1.35Å | |
| CG1 | H1 | sing | 1.09Å | 1.10Å | |
| CG1 | H12 | sing | 1.09Å | 1.10Å | |
| CG1 | H3 | sing | 1.09Å | 1.10Å | |
| CB1 | H4 | sing | 1.09Å | 1.10Å | |
| OG1 | H5 | 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 | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | OXT | sing | 1.34Å | 1.07Å | |
| CB2 | H20 | sing | 1.08Å | 1.08Å | |
| CD2 | H21 | sing | 1.08Å | 1.08Å | |
| CE2 | H22 | sing | 1.08Å | 1.08Å | |
| NH | H23 | sing | 0.97Å | 1.00Å | |
| NH | H24 | sing | 0.97Å | 1.00Å | |
| CE1 | H25 | sing | 1.08Å | 1.08Å | |
| CD1 | H26 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | CA3 | 87.5° | 120.0° |
| O3 | C3 | OXT | 121.8° | 120.0° |
| C3 | CA3 | N3 | 98.9° | 109.5° |
| C3 | CA3 | HA31 | 112.0° | 109.5° |
| C3 | CA3 | HA32 | 112.1° | 109.5° |
| CA3 | C3 | OXT | 121.8° | 120.0° |
| CA3 | N3 | C2 | 100.7° | 125.8° |
| CA3 | N3 | C1 | 150.6° | 125.8° |
| N3 | CA3 | HA31 | 112.0° | 109.5° |
| N3 | CA3 | HA32 | 112.1° | 109.5° |
| N1 | CA1 | C1 | 108.0° | 109.5° |
| N1 | CA1 | CB1 | 110.1° | 109.5° |
| N1 | CA1 | HA1 | 109.3° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| C2 | N3 | C1 | 107.7° | 108.4° |
| N3 | C2 | O2 | 115.8° | 127.4° |
| N3 | C2 | CA2 | 104.1° | 105.2° |
| N3 | C1 | CA1 | 126.1° | 124.4° |
| N3 | C1 | N2 | 108.1° | 111.3° |
| O2 | C2 | CA2 | 129.2° | 127.4° |
| C1 | CA1 | CB1 | 112.0° | 109.5° |
| CA1 | C1 | N2 | 125.6° | 124.3° |
| C1 | CA1 | HA1 | 108.8° | 109.4° |
| CA1 | CB1 | CG1 | 108.8° | 109.5° |
| CA1 | CB1 | OG1 | 110.6° | 109.4° |
| CA1 | CB1 | H4 | 109.2° | 109.5° |
| CB1 | CA1 | HA1 | 108.6° | 109.5° |
| C2 | CA2 | N2 | 108.4° | 105.7° |
| C2 | CA2 | CB2 | 118.6° | 127.1° |
| C1 | N2 | CA2 | 105.9° | 109.3° |
| CG1 | CB1 | OG1 | 108.4° | 109.5° |
| CB1 | CG1 | H1 | 109.5° | 109.5° |
| CB1 | CG1 | H12 | 109.5° | 109.4° |
| CB1 | CG1 | H3 | 109.5° | 109.5° |
| CG1 | CB1 | H4 | 109.3° | 109.5° |
| OG1 | CB1 | H4 | 110.5° | 109.5° |
| CB1 | OG1 | H5 | 109.5° | 114.0° |
| N2 | CA2 | CB2 | 126.4° | 127.1° |
| CA2 | CB2 | CG2 | 135.4° | 120.0° |
| CA2 | CB2 | H20 | 112.3° | 120.0° |
| CB2 | CG2 | CD2 | 117.2° | 120.1° |
| CB2 | CG2 | CD1 | 122.9° | 120.1° |
| CG2 | CB2 | H20 | 112.3° | 120.0° |
| CD2 | CG2 | CD1 | 119.9° | 119.8° |
| CG2 | CD2 | CE2 | 120.3° | 119.9° |
| CG2 | CD2 | H21 | 119.9° | 120.1° |
| CG2 | CD1 | CE1 | 119.4° | 119.9° |
| CG2 | CD1 | H26 | 120.3° | 120.1° |
| CD2 | CE2 | CZ | 119.9° | 120.1° |
| CE2 | CD2 | H21 | 119.9° | 120.0° |
| CD2 | CE2 | H22 | 120.1° | 119.9° |
| CD1 | CE1 | CZ | 120.3° | 120.1° |
| CD1 | CE1 | H25 | 119.8° | 119.9° |
| CE1 | CD1 | H26 | 120.3° | 120.0° |
| CE2 | CZ | CE1 | 120.2° | 120.2° |
| CE2 | CZ | NH | 119.5° | 119.9° |
| CZ | CE2 | H22 | 120.1° | 120.0° |
| CE1 | CZ | NH | 120.3° | 119.9° |
| CZ | CE1 | H25 | 119.8° | 119.9° |
| CZ | NH | H23 | 109.5° | 120.0° |
| CZ | NH | H24 | 109.5° | 120.0° |
| H1 | CG1 | H12 | 109.5° | 109.5° |
| H1 | CG1 | H3 | 109.5° | 109.5° |
| H12 | CG1 | H3 | 109.5° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H23 | NH | H24 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 126.3° | 180.0° |
| O3 | C3 | CA3 | N3 | 147.4° | 0.0° |
| O3 | C3 | CA3 | HA31 | 94.3° | 120.1° |
| O3 | C3 | CA3 | HA32 | 29.2° | 119.9° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA3 | N3 | HA31 | 118.2° | 120.0° |
| C3 | CA3 | N3 | HA32 | 118.2° | 120.0° |
| C3 | CA3 | N3 | C2 | 170.8° | 90.0° |
| C3 | CA3 | N3 | C1 | 6.6° | 90.2° |
| C3 | CA3 | HA31 | HA32 | 125.0° | 120.0° |
| CA3 | C3 | OXT | HXT | 108.8° | 180.0° |
| CA3 | N3 | C2 | C1 | 171.9° | 179.8° |
| CA3 | N3 | C2 | O2 | 19.7° | 0.1° |
| CA3 | N3 | C1 | CA1 | 3.0° | 0.2° |
| CA3 | N3 | C2 | CA2 | 167.4° | 180.0° |
| CA3 | N3 | C1 | N2 | 172.8° | 179.9° |
| N3 | CA3 | HA31 | HA32 | 125.0° | 120.0° |
| N3 | CA3 | C3 | OXT | 21.1° | 180.0° |
| N1 | CA1 | C1 | N3 | 83.3° | 144.7° |
| N1 | CA1 | C1 | CB1 | 121.4° | 120.0° |
| N1 | CA1 | C1 | HA1 | 118.5° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 119.6° | 120.0° |
| N1 | CA1 | C1 | N2 | 91.8° | 35.0° |
| N1 | CA1 | CB1 | CG1 | 54.7° | 55.0° |
| N1 | CA1 | CB1 | OG1 | 64.2° | 65.0° |
| N1 | CA1 | CB1 | H4 | 173.9° | 175.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N3 | C2 | O2 | CA2 | 138.1° | 179.9° |
| C2 | N3 | C1 | CA1 | 166.7° | 180.0° |
| C2 | N3 | C1 | N2 | 9.1° | 0.3° |
| N3 | C2 | CA2 | N2 | 24.4° | 0.0° |
| N3 | C2 | CA2 | CB2 | 177.7° | 180.0° |
| C2 | N3 | CA3 | HA31 | 52.5° | 149.9° |
| C2 | N3 | CA3 | HA32 | 71.0° | 29.9° |
| C1 | N3 | C2 | O2 | 168.4° | 179.9° |
| N3 | C1 | CA1 | N2 | 175.1° | 179.6° |
| N3 | C1 | CA1 | CB1 | 155.3° | 95.3° |
| C1 | N3 | C2 | CA2 | 20.7° | 0.2° |
| N3 | C1 | N2 | CA2 | 5.8° | 0.3° |
| N3 | C1 | CA1 | HA1 | 35.2° | 24.7° |
| C1 | N3 | CA3 | HA31 | 111.7° | 29.8° |
| C1 | N3 | CA3 | HA32 | 124.8° | 149.8° |
| O2 | C2 | CA2 | N2 | 166.1° | 179.9° |
| O2 | C2 | CA2 | CB2 | 40.6° | 0.1° |
| C1 | CA1 | CB1 | HA1 | 120.2° | 119.9° |
| C1 | CA1 | CB1 | CG1 | 174.9° | 175.0° |
| C1 | CA1 | CB1 | OG1 | 56.0° | 55.0° |
| CA1 | C1 | N2 | CA2 | 178.4° | 180.0° |
| C1 | CA1 | CB1 | H4 | 65.9° | 65.0° |
| C1 | CA1 | N1 | H | 180.0° | 60.0° |
| C1 | CA1 | N1 | H2 | 60.0° | 176.0° |
| CB1 | CA1 | C1 | N2 | 29.6° | 85.1° |
| CA1 | CB1 | CG1 | OG1 | 120.3° | 120.0° |
| CA1 | CB1 | CG1 | H4 | 119.2° | 120.0° |
| CA1 | CB1 | OG1 | H4 | 121.0° | 120.0° |
| CA1 | CB1 | CG1 | H1 | 180.0° | 180.0° |
| CA1 | CB1 | CG1 | H12 | 60.0° | 60.0° |
| CA1 | CB1 | CG1 | H3 | 60.0° | 60.0° |
| CA1 | CB1 | OG1 | H5 | 180.0° | 60.0° |
| CB1 | CA1 | N1 | H | 57.4° | 60.0° |
| CB1 | CA1 | N1 | H2 | 177.4° | 63.9° |
| C2 | CA2 | N2 | C1 | 19.4° | 0.2° |
| C2 | CA2 | N2 | CB2 | 150.6° | 180.0° |
| C2 | CA2 | CB2 | CG2 | 166.2° | 174.8° |
| C2 | CA2 | CB2 | H20 | 13.8° | 5.1° |
| C1 | N2 | CA2 | CB2 | 170.1° | 179.8° |
| N2 | C1 | CA1 | HA1 | 149.7° | 155.0° |
| CG1 | CB1 | OG1 | H4 | 119.8° | 120.0° |
| CB1 | CG1 | H1 | H12 | 120.0° | 120.0° |
| CB1 | CG1 | H1 | H3 | 120.0° | 120.0° |
| CB1 | CG1 | H12 | H3 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | H5 | 60.8° | 60.0° |
| CG1 | CB1 | CA1 | HA1 | 64.9° | 65.0° |
| OG1 | CB1 | CG1 | H1 | 59.8° | 60.0° |
| OG1 | CB1 | CG1 | H12 | 179.7° | 180.0° |
| OG1 | CB1 | CG1 | H3 | 60.3° | 60.0° |
| OG1 | CB1 | CA1 | HA1 | 176.2° | 175.0° |
| N2 | CA2 | CB2 | CG2 | 18.2° | 5.2° |
| N2 | CA2 | CB2 | H20 | 161.8° | 174.9° |
| CA2 | CB2 | CG2 | H20 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD2 | 171.9° | 6.0° |
| CA2 | CB2 | CG2 | CD1 | 9.7° | 174.3° |
| CB2 | CG2 | CD2 | CD1 | 178.4° | 179.7° |
| CB2 | CG2 | CD2 | CE2 | 179.0° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 178.2° | 179.7° |
| CB2 | CG2 | CD2 | H21 | 1.0° | 0.0° |
| CB2 | CG2 | CD1 | H26 | 1.8° | 0.1° |
| CG2 | CD2 | CE2 | H21 | 180.0° | 180.0° |
| CD2 | CG2 | CD1 | CE1 | 0.2° | 0.6° |
| CG2 | CD2 | CE2 | CZ | 0.5° | 0.0° |
| CD2 | CG2 | CB2 | H20 | 8.1° | 174.0° |
| CG2 | CD2 | CE2 | H22 | 179.5° | 180.0° |
| CD2 | CG2 | CD1 | H26 | 179.8° | 179.8° |
| CD1 | CG2 | CD2 | CE2 | 0.6° | 0.3° |
| CG2 | CD1 | CE1 | H26 | 180.0° | 179.6° |
| CG2 | CD1 | CE1 | CZ | 2.0° | 0.7° |
| CD1 | CG2 | CB2 | H20 | 170.3° | 5.7° |
| CD1 | CG2 | CD2 | H21 | 179.4° | 179.7° |
| CG2 | CD1 | CE1 | H25 | 178.0° | 179.7° |
| CD2 | CE2 | CZ | H22 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 2.3° | 0.1° |
| CD2 | CE2 | CZ | NH | 179.3° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 3.1° | 0.4° |
| CD1 | CE1 | CZ | H25 | 180.0° | 179.6° |
| CD1 | CE1 | CZ | NH | 178.6° | 179.6° |
| CE2 | CZ | CE1 | NH | 178.4° | 179.9° |
| CZ | CE2 | CD2 | H21 | 179.5° | 180.0° |
| CE2 | CZ | NH | H23 | 180.0° | 0.0° |
| CE2 | CZ | NH | H24 | 60.0° | 179.9° |
| CE2 | CZ | CE1 | H25 | 176.9° | 180.0° |
| CE1 | CZ | CE2 | H22 | 177.7° | 180.0° |
| CE1 | CZ | NH | H23 | 1.6° | 179.9° |
| CE1 | CZ | NH | H24 | 118.4° | 0.1° |
| CZ | CE1 | CD1 | H26 | 178.0° | 179.7° |
| NH | CZ | CE2 | H22 | 0.7° | 0.0° |
| CZ | NH | H23 | H24 | 120.0° | 179.9° |
| NH | CZ | CE1 | H25 | 1.4° | 0.1° |
| H1 | CG1 | H12 | H3 | 120.0° | 120.1° |
| H1 | CG1 | CB1 | H4 | 60.8° | 60.0° |
| H12 | CG1 | CB1 | H4 | 59.2° | 60.0° |
| H3 | CG1 | CB1 | H4 | 179.2° | NaN° |
| H4 | CB1 | OG1 | H5 | 59.0° | 180.0° |
| H4 | CB1 | CA1 | HA1 | 54.3° | 55.0° |
| HA1 | CA1 | N1 | H | 61.8° | 180.0° |
| HA1 | CA1 | N1 | H2 | 58.2° | 56.1° |
| HA31 | CA3 | C3 | OXT | 139.3° | 60.0° |
| HA32 | CA3 | C3 | OXT | 97.1° | 60.0° |
| H21 | CD2 | CE2 | H22 | 0.5° | 0.0° |
| H25 | CE1 | CD1 | H26 | 2.0° | 0.1° |
