ZRA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | O2 | sing | 1.45Å | 1.41Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CA1 | C | sing | 1.51Å | 1.52Å | |
| CA1 | N1 | sing | 1.47Å | 1.44Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CG | sing | 1.53Å | 1.50Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.45Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.47Å | 1.33Å | |
| NE | HE | sing | 1.01Å | 1.00Å | |
| CZ | NH1 | sing | 1.47Å | 1.34Å | |
| CZ | NH2 | sing | 1.47Å | 1.32Å | |
| CZ | HZ | sing | 1.09Å | 1.10Å | |
| NH1 | HH11 | sing | 1.01Å | 1.00Å | |
| NH1 | HH12 | sing | 1.01Å | 1.00Å | |
| NH2 | HH21 | sing | 1.01Å | 1.00Å | |
| NH2 | HH22 | sing | 1.01Å | 1.00Å | |
| C | N2 | sing | 1.35Å | 1.34Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CA2 | CB2 | sing | 1.53Å | 1.51Å | |
| CA2 | CT | sing | 1.51Å | 1.52Å | |
| CA2 | N2 | sing | 1.47Å | 1.45Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CB2 | HB23 | sing | 1.09Å | 1.10Å | |
| CT | CM | sing | 1.51Å | 1.53Å | |
| CT | OT | doub | 1.21Å | 1.25Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | F1 | sing | 1.40Å | 1.49Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 124.7° | 120.0° |
| N1 | C1 | O2 | 109.2° | 120.0° |
| C1 | N1 | CA1 | 125.8° | 120.0° |
| C1 | N1 | HN1 | 117.1° | 120.0° |
| O1 | C1 | O2 | 125.3° | 120.0° |
| C1 | O2 | C2 | 129.0° | 117.0° |
| C3 | C2 | O2 | 137.1° | 109.5° |
| C3 | C2 | H21 | 101.1° | 109.5° |
| C3 | C2 | H22 | 101.1° | 109.5° |
| C2 | C3 | C4 | 117.6° | 120.0° |
| C2 | C3 | C8 | 121.0° | 120.0° |
| O2 | C2 | H21 | 101.1° | 109.5° |
| O2 | C2 | H22 | 101.1° | 109.5° |
| H21 | C2 | H22 | 116.4° | 109.4° |
| C4 | C3 | C8 | 120.9° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | C8 | C7 | 119.0° | 120.0° |
| C3 | C8 | H8 | 120.5° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.0° |
| C5 | C6 | C7 | 120.5° | 120.1° |
| C5 | C6 | H6 | 119.7° | 119.9° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C8 | C7 | H7 | 119.9° | 120.0° |
| C7 | C8 | H8 | 120.5° | 120.0° |
| CB1 | CA1 | C | 109.3° | 109.5° |
| CB1 | CA1 | N1 | 112.0° | 109.5° |
| CB1 | CA1 | HA1 | 105.4° | 109.5° |
| CA1 | CB1 | CG | 113.9° | 109.5° |
| CA1 | CB1 | HB11 | 108.0° | 109.5° |
| CA1 | CB1 | HB12 | 108.0° | 109.5° |
| C | CA1 | N1 | 100.3° | 109.4° |
| C | CA1 | HA1 | 116.2° | 109.4° |
| CA1 | C | N2 | 113.0° | 120.0° |
| CA1 | C | O | 120.9° | 120.0° |
| N1 | CA1 | HA1 | 113.7° | 109.5° |
| CA1 | N1 | HN1 | 117.1° | 120.0° |
| CG | CB1 | HB11 | 108.0° | 109.4° |
| CG | CB1 | HB12 | 108.0° | 109.4° |
| CB1 | CG | CD | 107.4° | 109.5° |
| CB1 | CG | HG1 | 110.1° | 109.5° |
| CB1 | CG | HG2 | 110.2° | 109.5° |
| HB11 | CB1 | HB12 | 110.9° | 109.5° |
| CD | CG | HG1 | 110.1° | 109.5° |
| CD | CG | HG2 | 110.2° | 109.5° |
| CG | CD | NE | 113.3° | 109.5° |
| CG | CD | HD1 | 108.2° | 109.5° |
| CG | CD | HD2 | 108.2° | 109.5° |
| HG1 | CG | HG2 | 108.8° | 109.5° |
| NE | CD | HD1 | 108.2° | 109.5° |
| NE | CD | HD2 | 108.2° | 109.5° |
| CD | NE | CZ | 121.3° | 111.0° |
| CD | NE | HE | 105.7° | 111.0° |
| HD1 | CD | HD2 | 110.7° | 109.5° |
| CZ | NE | HE | 105.7° | 111.0° |
| NE | CZ | NH1 | 122.5° | 109.5° |
| NE | CZ | NH2 | 117.3° | 109.5° |
| NE | CZ | HZ | 95.4° | 109.5° |
| NH1 | CZ | NH2 | 120.2° | 109.4° |
| NH1 | CZ | HZ | 27.1° | 109.4° |
| CZ | NH1 | HH11 | 109.5° | 111.0° |
| CZ | NH1 | HH12 | 109.5° | 111.1° |
| NH2 | CZ | HZ | 147.3° | 109.4° |
| CZ | NH2 | HH21 | 109.5° | 111.0° |
| CZ | NH2 | HH22 | 109.4° | 111.1° |
| HH11 | NH1 | HH12 | 109.5° | 111.0° |
| HH21 | NH2 | HH22 | 109.5° | 111.0° |
| N2 | C | O | 124.0° | 120.1° |
| C | N2 | CA2 | 122.8° | 119.9° |
| C | N2 | HN2 | 118.6° | 120.1° |
| CB2 | CA2 | CT | 120.2° | 109.5° |
| CB2 | CA2 | N2 | 118.7° | 109.5° |
| CB2 | CA2 | HA2 | 107.1° | 109.5° |
| CA2 | CB2 | HB21 | 109.5° | 109.5° |
| CA2 | CB2 | HB22 | 109.5° | 109.5° |
| CA2 | CB2 | HB23 | 109.4° | 109.5° |
| CT | CA2 | N2 | 121.0° | 109.4° |
| CT | CA2 | HA2 | 71.5° | 109.5° |
| CA2 | CT | CM | 130.1° | 120.0° |
| CA2 | CT | OT | 119.2° | 120.0° |
| N2 | CA2 | HA2 | 94.6° | 109.5° |
| CA2 | N2 | HN2 | 118.6° | 120.0° |
| HB21 | CB2 | HB22 | 109.5° | 109.5° |
| HB21 | CB2 | HB23 | 109.5° | 109.4° |
| HB22 | CB2 | HB23 | 109.5° | 109.4° |
| CM | CT | OT | 110.7° | 120.0° |
| CT | CM | HM1 | 109.5° | 109.4° |
| CT | CM | HM2 | 109.5° | 109.5° |
| CT | CM | F1 | 109.4° | 109.5° |
| HM1 | CM | HM2 | 109.5° | 109.4° |
| HM1 | CM | F1 | 109.5° | 109.5° |
| HM2 | CM | F1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | O2 | 168.4° | 179.8° |
| N1 | C1 | O2 | C2 | 170.6° | 180.0° |
| C1 | N1 | CA1 | CB1 | 137.2° | 155.0° |
| C1 | N1 | CA1 | C | 107.0° | 85.0° |
| C1 | N1 | CA1 | HN1 | 180.0° | 180.0° |
| C1 | N1 | CA1 | HA1 | 17.8° | 34.9° |
| O1 | C1 | O2 | C2 | 0.6° | 0.2° |
| O1 | C1 | N1 | CA1 | 19.5° | 0.0° |
| O1 | C1 | N1 | HN1 | 160.5° | 180.0° |
| C1 | O2 | C2 | C3 | 173.6° | 180.0° |
| C1 | O2 | C2 | H21 | 66.4° | 59.9° |
| C1 | O2 | C2 | H22 | 53.6° | 60.0° |
| O2 | C1 | N1 | CA1 | 170.5° | 179.8° |
| O2 | C1 | N1 | HN1 | 9.5° | 0.2° |
| C3 | C2 | O2 | H21 | 120.0° | 120.0° |
| C3 | C2 | O2 | H22 | 120.0° | 120.1° |
| C3 | C2 | H21 | H22 | 108.4° | 120.0° |
| C2 | C3 | C4 | C8 | 172.2° | 179.7° |
| C2 | C3 | C4 | C5 | 171.4° | 180.0° |
| C2 | C3 | C4 | H4 | 8.6° | 0.0° |
| C2 | C3 | C8 | C7 | 171.4° | 179.8° |
| C2 | C3 | C8 | H8 | 8.6° | 0.0° |
| O2 | C2 | H21 | H22 | 108.5° | 120.0° |
| O2 | C2 | C3 | C4 | 61.1° | 90.0° |
| O2 | C2 | C3 | C8 | 111.1° | 90.3° |
| H21 | C2 | C3 | C4 | 58.9° | 150.0° |
| H21 | C2 | C3 | C8 | 128.8° | 29.8° |
| H22 | C2 | C3 | C4 | 178.9° | 30.0° |
| H22 | C2 | C3 | C8 | 8.9° | 149.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | H5 | 179.6° | 179.9° |
| C4 | C3 | C8 | C7 | 0.6° | 0.5° |
| C4 | C3 | C8 | H8 | 179.5° | 179.7° |
| C8 | C3 | C4 | C5 | 0.8° | 0.3° |
| C8 | C3 | C4 | H4 | 179.2° | 179.7° |
| C3 | C8 | C7 | C6 | 0.0° | 0.4° |
| C3 | C8 | C7 | H8 | 180.0° | 179.8° |
| C3 | C8 | C7 | H7 | 180.0° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C5 | H5 | 0.4° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.2° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | H8 | 179.9° | 179.8° |
| H6 | C6 | C7 | C8 | 179.6° | 179.8° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| CB1 | CA1 | C | N1 | 117.9° | 120.0° |
| CB1 | CA1 | C | HA1 | 119.1° | 120.0° |
| CB1 | CA1 | N1 | HA1 | 119.4° | 120.1° |
| CA1 | CB1 | CG | HB11 | 120.0° | 120.0° |
| CA1 | CB1 | CG | HB12 | 120.0° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 118.2° | 120.1° |
| CA1 | CB1 | CG | CD | 64.3° | 180.0° |
| CA1 | CB1 | CG | HG1 | 55.7° | 60.0° |
| CA1 | CB1 | CG | HG2 | 175.7° | 60.0° |
| CB1 | CA1 | C | N2 | 117.0° | 60.0° |
| CB1 | CA1 | C | O | 47.1° | 120.0° |
| CB1 | CA1 | N1 | HN1 | 42.8° | 25.0° |
| C | CA1 | N1 | HA1 | 124.8° | 120.0° |
| C | CA1 | CB1 | CG | 164.4° | 175.0° |
| C | CA1 | CB1 | HB11 | 44.4° | 65.0° |
| C | CA1 | CB1 | HB12 | 75.6° | 55.0° |
| CA1 | C | N2 | O | 163.5° | 180.0° |
| CA1 | C | N2 | CA2 | 160.7° | 180.0° |
| C | CA1 | N1 | HN1 | 73.0° | 95.0° |
| CA1 | C | N2 | HN2 | 19.3° | 0.0° |
| N1 | CA1 | CB1 | CG | 54.1° | 65.1° |
| N1 | CA1 | CB1 | HB11 | 65.9° | 54.9° |
| N1 | CA1 | CB1 | HB12 | 174.1° | 175.0° |
| N1 | CA1 | C | N2 | 125.1° | 180.0° |
| N1 | CA1 | C | O | 70.8° | 0.0° |
| HA1 | CA1 | CB1 | CG | 70.0° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 170.0° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 50.0° | 64.9° |
| HA1 | CA1 | C | N2 | 2.1° | 60.0° |
| HA1 | CA1 | C | O | 166.2° | 120.0° |
| HA1 | CA1 | N1 | HN1 | 162.2° | 145.0° |
| CG | CB1 | HB11 | HB12 | 118.2° | 119.9° |
| CB1 | CG | CD | HG1 | 120.0° | 120.0° |
| CB1 | CG | CD | HG2 | 120.0° | 120.0° |
| CB1 | CG | HG1 | HG2 | 120.8° | 120.0° |
| CB1 | CG | CD | NE | 173.6° | 180.0° |
| CB1 | CG | CD | HD1 | 66.5° | 60.0° |
| CB1 | CG | CD | HD2 | 53.5° | 60.0° |
| HB11 | CB1 | CG | CD | 175.7° | 60.0° |
| HB11 | CB1 | CG | HG1 | 64.3° | 180.0° |
| HB11 | CB1 | CG | HG2 | 55.7° | 60.0° |
| HB12 | CB1 | CG | CD | 55.7° | 60.0° |
| HB12 | CB1 | CG | HG1 | 175.7° | 60.0° |
| HB12 | CB1 | CG | HG2 | 64.3° | 180.0° |
| CD | CG | HG1 | HG2 | 120.8° | 120.0° |
| CG | CD | NE | HD1 | 120.0° | 120.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | HD1 | HD2 | 118.5° | 120.0° |
| CG | CD | NE | CZ | 121.5° | 180.0° |
| CG | CD | NE | HE | 1.5° | 56.1° |
| HG1 | CG | CD | NE | 53.6° | 60.0° |
| HG1 | CG | CD | HD1 | 173.6° | 180.0° |
| HG1 | CG | CD | HD2 | 66.4° | 60.0° |
| HG2 | CG | CD | NE | 66.4° | 60.0° |
| HG2 | CG | CD | HD1 | 53.5° | 60.0° |
| HG2 | CG | CD | HD2 | 173.6° | 180.0° |
| NE | CD | HD1 | HD2 | 118.4° | 120.0° |
| CD | NE | CZ | HE | 120.0° | 123.9° |
| CD | NE | CZ | NH1 | 1.3° | 75.0° |
| CD | NE | CZ | NH2 | 178.7° | 165.0° |
| CD | NE | CZ | HZ | 0.8° | 45.0° |
| HD1 | CD | NE | CZ | 118.5° | 60.0° |
| HD1 | CD | NE | HE | 121.5° | 176.1° |
| HD2 | CD | NE | CZ | 1.5° | 60.0° |
| HD2 | CD | NE | HE | 118.5° | 63.9° |
| NE | CZ | NH1 | NH2 | 180.0° | 120.0° |
| NE | CZ | NH1 | HZ | 1.1° | 120.1° |
| NE | CZ | NH2 | HZ | 179.1° | 120.0° |
| NE | CZ | NH1 | HH11 | 180.0° | 60.0° |
| NE | CZ | NH1 | HH12 | 60.0° | 176.0° |
| NE | CZ | NH2 | HH21 | 180.0° | 56.0° |
| NE | CZ | NH2 | HH22 | 60.0° | 180.0° |
| HE | NE | CZ | NH1 | 118.7° | 48.9° |
| HE | NE | CZ | NH2 | 61.3° | 71.1° |
| HE | NE | CZ | HZ | 119.2° | 168.9° |
| NH1 | CZ | NH2 | HZ | 0.9° | 119.9° |
| CZ | NH1 | HH11 | HH12 | 120.0° | 124.1° |
| NH1 | CZ | NH2 | HH21 | 0.0° | 176.0° |
| NH1 | CZ | NH2 | HH22 | 120.0° | 60.0° |
| NH2 | CZ | NH1 | HH11 | 0.0° | 60.1° |
| NH2 | CZ | NH1 | HH12 | 120.0° | 64.0° |
| CZ | NH2 | HH21 | HH22 | 120.0° | 124.0° |
| HZ | CZ | NH1 | HH11 | 178.9° | 180.0° |
| HZ | CZ | NH1 | HH12 | 58.9° | 56.0° |
| HZ | CZ | NH2 | HH21 | 0.9° | 64.0° |
| HZ | CZ | NH2 | HH22 | 120.9° | 59.9° |
| C | N2 | CA2 | CB2 | 129.2° | 85.0° |
| C | N2 | CA2 | CT | 54.3° | 155.0° |
| C | N2 | CA2 | HN2 | 180.0° | 179.9° |
| C | N2 | CA2 | HA2 | 16.9° | 35.0° |
| O | C | N2 | CA2 | 2.8° | 0.0° |
| O | C | N2 | HN2 | 177.2° | 180.0° |
| CB2 | CA2 | CT | N2 | 176.4° | 120.0° |
| CB2 | CA2 | CT | HA2 | 99.4° | 120.0° |
| CB2 | CA2 | N2 | HA2 | 112.3° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 120.0° | 120.1° |
| CA2 | CB2 | HB21 | HB23 | 120.0° | 120.0° |
| CA2 | CB2 | HB22 | HB23 | 120.0° | 120.0° |
| CB2 | CA2 | CT | CM | 146.2° | 75.0° |
| CB2 | CA2 | CT | OT | 36.1° | 105.0° |
| CB2 | CA2 | N2 | HN2 | 50.8° | 94.9° |
| CT | CA2 | N2 | HA2 | 71.2° | 120.0° |
| CT | CA2 | CB2 | HB21 | 180.0° | 60.0° |
| CT | CA2 | CB2 | HB22 | 60.0° | 60.0° |
| CT | CA2 | CB2 | HB23 | 60.0° | 180.0° |
| CA2 | CT | CM | OT | 177.9° | 179.9° |
| CA2 | CT | CM | HM1 | 177.8° | 60.0° |
| CA2 | CT | CM | HM2 | 62.1° | 59.9° |
| CA2 | CT | CM | F1 | 57.8° | 180.0° |
| CT | CA2 | N2 | HN2 | 125.7° | 25.0° |
| N2 | CA2 | CB2 | HB21 | 3.5° | 59.9° |
| N2 | CA2 | CB2 | HB22 | 116.6° | 180.0° |
| N2 | CA2 | CB2 | HB23 | 123.5° | 60.0° |
| N2 | CA2 | CT | CM | 30.2° | 165.0° |
| N2 | CA2 | CT | OT | 147.5° | 15.0° |
| HA2 | CA2 | CB2 | HB21 | 101.8° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 138.1° | 60.0° |
| HA2 | CA2 | CB2 | HB23 | 18.2° | 60.0° |
| HA2 | CA2 | CT | CM | 114.4° | 45.1° |
| HA2 | CA2 | CT | OT | 63.4° | 135.0° |
| HA2 | CA2 | N2 | HN2 | 163.2° | 145.0° |
| HB21 | CB2 | HB22 | HB23 | 120.0° | 119.9° |
| CT | CM | HM1 | HM2 | 120.0° | 120.0° |
| CT | CM | HM1 | F1 | 120.0° | 120.0° |
| CT | CM | HM2 | F1 | 120.0° | 120.1° |
| OT | CT | CM | HM1 | 0.0° | 120.0° |
| OT | CT | CM | HM2 | 120.0° | 120.0° |
| OT | CT | CM | F1 | 120.0° | 0.0° |
| HM1 | CM | HM2 | F1 | 120.0° | 120.0° |
