ZT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| CAC | CAB | sing | 1.53Å | 1.54Å | |
| CAB | NZ | sing | 1.47Å | 1.49Å | |
| CAO | NAN | sing | 1.47Å | 1.46Å | |
| CAQ | NZ | sing | 1.47Å | 1.51Å | |
| CAQ | CAP | sing | 1.51Å | 1.56Å | |
| NZ | CE | sing | 1.47Å | 1.51Å | |
| CE | CD | sing | 1.53Å | 1.55Å | |
| NAN | CAP | sing | 1.37Å | 1.33Å | Aromatic |
| NAN | CAT | sing | 1.35Å | 1.34Å | Aromatic |
| CAP | CAR | doub | 1.35Å | 1.33Å | Aromatic |
| CD | CG | sing | 1.53Å | 1.55Å | |
| CAT | NAS | doub | 1.30Å | 1.33Å | Aromatic |
| CAR | NAS | sing | 1.34Å | 1.34Å | Aromatic |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAQ | H22 | sing | 1.09Å | 1.10Å | |
| CAQ | H23 | sing | 1.09Å | 1.10Å | |
| CAR | H24 | sing | 1.08Å | 1.08Å | |
| CAT | H25 | sing | 1.08Å | 1.08Å | |
| CAO | H26 | sing | 1.09Å | 1.10Å | |
| CAO | H27 | sing | 1.09Å | 1.10Å | |
| CAO | H28 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAC | 110.2° | 109.5° |
| CAA | CAB | NZ | 112.2° | 109.5° |
| CAA | CAB | H15 | 106.8° | 109.5° |
| CAB | CAA | H19 | 109.5° | 109.5° |
| CAB | CAA | H20 | 109.4° | 109.5° |
| CAB | CAA | H21 | 109.5° | 109.5° |
| CAC | CAB | NZ | 113.1° | 109.5° |
| CAC | CAB | H15 | 106.8° | 109.4° |
| CAB | CAC | H16 | 109.5° | 109.5° |
| CAB | CAC | H17 | 109.5° | 109.5° |
| CAB | CAC | H18 | 109.5° | 109.5° |
| CAB | NZ | CAQ | 108.0° | 111.0° |
| CAB | NZ | CE | 112.8° | 111.0° |
| NZ | CAB | H15 | 107.3° | 109.5° |
| CAO | NAN | CAP | 130.1° | 126.4° |
| CAO | NAN | CAT | 122.0° | 126.4° |
| NAN | CAO | H26 | 109.5° | 109.5° |
| NAN | CAO | H27 | 109.4° | 109.5° |
| NAN | CAO | H28 | 109.5° | 109.4° |
| NZ | CAQ | CAP | 115.0° | 109.5° |
| CAQ | NZ | CE | 114.9° | 111.0° |
| NZ | CAQ | H22 | 108.1° | 109.5° |
| NZ | CAQ | H23 | 108.1° | 109.5° |
| CAQ | CAP | NAN | 127.3° | 126.6° |
| CAQ | CAP | CAR | 124.6° | 126.6° |
| CAP | CAQ | H22 | 108.1° | 109.4° |
| CAP | CAQ | H23 | 108.0° | 109.4° |
| NZ | CE | CD | 113.1° | 109.4° |
| NZ | CE | HE2 | 108.6° | 109.4° |
| NZ | CE | HE3 | 108.5° | 109.5° |
| CE | CD | CG | 111.5° | 109.4° |
| CE | CD | HD2 | 109.0° | 109.5° |
| CE | CD | HD3 | 108.9° | 109.5° |
| CD | CE | HE2 | 108.5° | 109.5° |
| CD | CE | HE3 | 108.6° | 109.5° |
| CAP | NAN | CAT | 107.9° | 107.2° |
| NAN | CAP | CAR | 108.1° | 106.8° |
| NAN | CAT | NAS | 108.1° | 108.7° |
| NAN | CAT | H25 | 126.0° | 125.7° |
| CAP | CAR | NAS | 108.2° | 108.1° |
| CAP | CAR | H24 | 125.9° | 126.0° |
| CD | CG | CB | 107.7° | 109.5° |
| CD | CG | HG2 | 109.9° | 109.5° |
| CD | CG | HG3 | 109.9° | 109.5° |
| CG | CD | HD2 | 109.0° | 109.4° |
| CG | CD | HD3 | 109.0° | 109.5° |
| CAT | NAS | CAR | 107.7° | 109.3° |
| NAS | CAT | H25 | 126.0° | 125.7° |
| NAS | CAR | H24 | 125.9° | 126.0° |
| CG | CB | CA | 113.6° | 109.5° |
| CG | CB | HB2 | 108.5° | 109.4° |
| CG | CB | HB3 | 108.4° | 109.5° |
| CB | CG | HG2 | 109.9° | 109.4° |
| CB | CG | HG3 | 109.9° | 109.5° |
| CB | CA | N | 108.6° | 109.5° |
| CB | CA | C | 114.4° | 109.5° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.5° |
| N | CA | C | 105.2° | 109.5° |
| N | CA | HA | 110.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 119.5° | 120.0° |
| C | CA | HA | 109.2° | 109.4° |
| CA | C | OXT | 116.5° | 120.0° |
| O | C | OXT | 124.0° | 120.0° |
| H | N | H2 | 109.4° | 111.1° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.4° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| H16 | CAC | H17 | 109.4° | 109.5° |
| H16 | CAC | H18 | 109.5° | 109.5° |
| H17 | CAC | H18 | 109.5° | 109.5° |
| H19 | CAA | H20 | 109.5° | 109.4° |
| H19 | CAA | H21 | 109.4° | 109.5° |
| H20 | CAA | H21 | 109.5° | 109.5° |
| H22 | CAQ | H23 | 109.5° | 109.5° |
| H26 | CAO | H27 | 109.5° | 109.5° |
| H26 | CAO | H28 | 109.4° | 109.5° |
| H27 | CAO | H28 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAC | NZ | 126.5° | 120.1° |
| CAA | CAB | CAC | H15 | 115.7° | 120.0° |
| CAA | CAB | NZ | H15 | 117.0° | 120.0° |
| CAA | CAB | NZ | CAQ | 83.5° | 146.3° |
| CAA | CAB | NZ | CE | 44.7° | 89.8° |
| CAA | CAB | CAC | H16 | 180.0° | 60.0° |
| CAA | CAB | CAC | H17 | 60.0° | 60.0° |
| CAA | CAB | CAC | H18 | 60.0° | 180.0° |
| CAB | CAA | H19 | H20 | 120.0° | 120.0° |
| CAB | CAA | H19 | H21 | 120.0° | 120.0° |
| CAB | CAA | H20 | H21 | 120.0° | 120.0° |
| CAC | CAB | NZ | H15 | 117.6° | 119.9° |
| CAC | CAB | NZ | CAQ | 151.1° | 93.7° |
| CAC | CAB | NZ | CE | 80.8° | 30.3° |
| CAB | CAC | H16 | H17 | 120.0° | 120.0° |
| CAB | CAC | H16 | H18 | 120.0° | 120.0° |
| CAB | CAC | H17 | H18 | 120.0° | 120.0° |
| CAC | CAB | CAA | H19 | 180.0° | 169.1° |
| CAC | CAB | CAA | H20 | 60.0° | 49.1° |
| CAC | CAB | CAA | H21 | 60.0° | 70.9° |
| CAB | NZ | CAQ | CE | 126.9° | 124.0° |
| CAB | NZ | CAQ | CAP | 148.5° | 65.3° |
| CAB | NZ | CE | CD | 65.3° | 65.3° |
| CAB | NZ | CE | HE2 | 55.3° | 174.7° |
| CAB | NZ | CE | HE3 | 174.2° | 54.7° |
| NZ | CAB | CAC | H16 | 53.5° | 60.1° |
| NZ | CAB | CAC | H17 | 173.5° | 180.0° |
| NZ | CAB | CAC | H18 | 66.5° | 59.9° |
| NZ | CAB | CAA | H19 | 53.0° | 70.9° |
| NZ | CAB | CAA | H20 | 67.0° | 169.2° |
| NZ | CAB | CAA | H21 | 173.0° | 49.1° |
| CAB | NZ | CAQ | H22 | 27.7° | 174.8° |
| CAB | NZ | CAQ | H23 | 90.7° | 54.7° |
| CAO | NAN | CAP | CAQ | 1.7° | 0.1° |
| CAO | NAN | CAP | CAT | 178.2° | 180.0° |
| CAO | NAN | CAP | CAR | 179.2° | 179.7° |
| CAO | NAN | CAT | NAS | 179.7° | 179.7° |
| CAO | NAN | CAT | H25 | 0.3° | 0.2° |
| NAN | CAO | H26 | H27 | 120.0° | 120.0° |
| NAN | CAO | H26 | H28 | 120.0° | 120.0° |
| NAN | CAO | H27 | H28 | 120.0° | 120.0° |
| NZ | CAQ | CAP | H22 | 120.8° | 120.0° |
| NZ | CAQ | CAP | H23 | 120.8° | 120.1° |
| CAQ | NZ | CE | CD | 170.3° | 170.8° |
| NZ | CAQ | CAP | NAN | 96.5° | 88.6° |
| NZ | CAQ | CAP | CAR | 84.5° | 91.6° |
| CAQ | NZ | CE | HE2 | 69.2° | 50.7° |
| CAQ | NZ | CE | HE3 | 49.7° | 69.3° |
| CAQ | NZ | CAB | H15 | 33.5° | 26.3° |
| NZ | CAQ | H22 | H23 | 117.5° | 120.1° |
| CAP | CAQ | NZ | CE | 21.6° | 170.7° |
| CAQ | CAP | NAN | CAR | 179.2° | 179.8° |
| CAQ | CAP | NAN | CAT | 179.8° | 179.9° |
| CAQ | CAP | CAR | NAS | 179.5° | 180.0° |
| CAP | CAQ | H22 | H23 | 117.5° | 119.9° |
| CAQ | CAP | CAR | H24 | 0.5° | 0.0° |
| NZ | CE | CD | HE2 | 120.6° | 120.0° |
| NZ | CE | CD | HE3 | 120.5° | 120.0° |
| NZ | CE | CD | CG | 154.1° | 173.2° |
| NZ | CE | CD | HD2 | 33.8° | 66.9° |
| NZ | CE | CD | HD3 | 85.6° | 53.2° |
| NZ | CE | HE2 | HE3 | 118.3° | 120.0° |
| CE | NZ | CAB | H15 | 161.7° | 150.2° |
| CE | NZ | CAQ | H22 | 99.2° | 50.8° |
| CE | NZ | CAQ | H23 | 142.4° | 69.2° |
| CE | CD | CG | HD2 | 120.3° | 120.0° |
| CE | CD | CG | HD3 | 120.3° | 120.0° |
| CE | CD | CG | CB | 174.4° | 180.0° |
| CE | CD | CG | HG2 | 65.8° | 60.0° |
| CE | CD | CG | HG3 | 54.7° | 60.0° |
| CE | CD | HD2 | HD3 | 119.1° | 120.0° |
| CD | CE | HE2 | HE3 | 118.3° | 120.1° |
| CAP | NAN | CAT | NAS | 1.4° | 0.3° |
| NAN | CAP | CAR | NAS | 0.3° | 0.2° |
| NAN | CAP | CAQ | H22 | 24.3° | 151.4° |
| NAN | CAP | CAQ | H23 | 142.7° | 31.4° |
| NAN | CAP | CAR | H24 | 179.7° | 179.8° |
| CAP | NAN | CAT | H25 | 178.6° | 179.8° |
| CAP | NAN | CAO | H26 | 180.0° | 95.7° |
| CAP | NAN | CAO | H27 | 60.0° | 144.4° |
| CAP | NAN | CAO | H28 | 60.0° | 24.3° |
| CAT | NAN | CAP | CAR | 1.0° | 0.3° |
| NAN | CAT | NAS | H25 | 180.0° | 179.9° |
| NAN | CAT | NAS | CAR | 1.2° | 0.2° |
| CAT | NAN | CAO | H26 | 2.1° | 84.3° |
| CAT | NAN | CAO | H27 | 117.9° | 35.7° |
| CAT | NAN | CAO | H28 | 122.1° | 155.7° |
| CAP | CAR | NAS | CAT | 0.5° | 0.0° |
| CAP | CAR | NAS | H24 | 180.0° | 179.9° |
| CAR | CAP | CAQ | H22 | 154.7° | 28.4° |
| CAR | CAP | CAQ | H23 | 36.3° | 148.3° |
| CD | CG | CB | HG2 | 119.7° | 120.0° |
| CD | CG | CB | HG3 | 119.7° | 120.1° |
| CD | CG | CB | CA | 176.4° | 180.0° |
| CD | CG | CB | HB2 | 63.0° | 60.0° |
| CD | CG | CB | HB3 | 55.8° | 59.9° |
| CD | CG | HG2 | HG3 | 120.8° | 120.0° |
| CG | CD | HD2 | HD3 | 119.1° | 120.0° |
| CG | CD | CE | HE2 | 85.3° | 53.2° |
| CG | CD | CE | HE3 | 33.6° | 66.8° |
| CAT | NAS | CAR | H24 | 179.5° | 180.0° |
| CAR | NAS | CAT | H25 | 178.8° | 179.9° |
| CG | CB | CA | HB2 | 120.6° | 120.0° |
| CG | CB | CA | HB3 | 120.6° | 120.0° |
| CG | CB | CA | N | 175.5° | 65.0° |
| CG | CB | CA | C | 58.3° | 175.0° |
| CG | CB | CA | HA | 64.4° | 55.0° |
| CG | CB | HB2 | HB3 | 118.1° | 120.0° |
| CB | CG | HG2 | HG3 | 120.8° | 120.0° |
| CB | CG | CD | HD2 | 54.1° | 60.0° |
| CB | CG | CD | HD3 | 65.3° | 60.0° |
| CB | CA | N | C | 122.9° | 120.0° |
| CB | CA | N | HA | 119.6° | 120.0° |
| CB | CA | C | HA | 122.8° | 120.0° |
| CB | CA | C | O | 45.9° | 100.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 118.1° | 120.0° |
| CA | CB | CG | HG2 | 56.7° | 60.0° |
| CA | CB | CG | HG3 | 63.9° | 60.0° |
| CB | CA | C | OXT | 136.7° | 79.7° |
| N | CA | C | HA | 118.2° | 120.0° |
| N | CA | C | O | 73.2° | 20.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 54.8° | 55.0° |
| N | CA | CB | HB3 | 63.9° | 175.0° |
| N | CA | C | OXT | 104.2° | 160.3° |
| CA | C | O | OXT | 177.2° | 179.7° |
| C | CA | N | H | 57.1° | 64.0° |
| C | CA | N | H2 | 62.9° | 60.1° |
| C | CA | CB | HB2 | 62.3° | 65.0° |
| C | CA | CB | HB3 | 178.9° | 55.0° |
| CA | C | OXT | HXT | 177.3° | 179.8° |
| O | C | CA | HA | 168.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| HA | CA | N | H | 60.4° | 56.0° |
| HA | CA | N | H2 | 179.6° | 180.0° |
| HA | CA | CB | HB2 | 174.9° | 175.0° |
| HA | CA | CB | HB3 | 56.2° | 65.0° |
| HA | CA | C | OXT | 13.9° | 40.3° |
| HB2 | CB | CG | HG2 | 177.3° | 180.0° |
| HB2 | CB | CG | HG3 | 56.7° | 60.0° |
| HB3 | CB | CG | HG2 | 63.9° | 60.1° |
| HB3 | CB | CG | HG3 | 175.5° | 180.0° |
| HG2 | CG | CD | HD2 | 173.9° | 180.0° |
| HG2 | CG | CD | HD3 | 54.4° | 60.0° |
| HG3 | CG | CD | HD2 | 65.6° | 60.0° |
| HG3 | CG | CD | HD3 | 175.0° | 180.0° |
| HD2 | CD | CE | HE2 | 154.4° | 173.2° |
| HD2 | CD | CE | HE3 | 86.7° | 53.1° |
| HD3 | CD | CE | HE2 | 35.0° | 66.8° |
| HD3 | CD | CE | HE3 | 153.9° | 173.1° |
| H15 | CAB | CAC | H16 | 64.3° | 180.0° |
| H15 | CAB | CAC | H17 | 55.7° | 60.0° |
| H15 | CAB | CAC | H18 | 175.7° | 60.0° |
| H15 | CAB | CAA | H19 | 64.3° | 49.1° |
| H15 | CAB | CAA | H20 | 175.7° | 70.8° |
| H15 | CAB | CAA | H21 | 55.7° | 169.1° |
| H16 | CAC | H17 | H18 | 120.0° | 120.0° |
| H19 | CAA | H20 | H21 | 120.0° | 120.0° |
| H26 | CAO | H27 | H28 | 120.0° | 120.1° |
