ZT6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH | CZ | sing | 1.36Å | 1.39Å | |
| CZ | CE2 | doub | 1.39Å | 1.40Å | Aromatic |
| CZ | CE1 | sing | 1.39Å | 1.38Å | Aromatic |
| CL | CE1 | sing | 1.74Å | 1.72Å | |
| CE2 | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C4 | sing | 1.53Å | 1.43Å | |
| CD2 | CG | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.66Å | |
| CD1 | CG | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | SI | sing | 1.86Å | 1.90Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | ODE | sing | 1.43Å | 1.40Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| SI | ODE | sing | 1.63Å | 1.65Å | |
| SI | C7 | sing | 1.86Å | 1.86Å | |
| SI | C1 | sing | 1.86Å | 1.82Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.41Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | 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) |
| OH | CZ | CE2 | 119.4° | 120.0° |
| OH | CZ | CE1 | 121.0° | 120.0° |
| CZ | OH | HH | 109.5° | 114.0° |
| CE2 | CZ | CE1 | 119.6° | 119.9° |
| CZ | CE2 | CD2 | 119.7° | 119.9° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | CL | 122.5° | 120.1° |
| CZ | CE1 | CD1 | 120.5° | 119.9° |
| CL | CE1 | CD1 | 117.0° | 120.1° |
| CE2 | CD2 | CG | 121.1° | 120.1° |
| CE2 | CD2 | HD2 | 119.4° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CE1 | CD1 | CG | 119.7° | 120.0° |
| CE1 | CD1 | HD1 | 120.1° | 119.9° |
| C6 | C4 | C5 | 103.9° | 109.5° |
| C6 | C4 | SI | 117.7° | 109.5° |
| C6 | C4 | H41 | 110.6° | 109.5° |
| C4 | C6 | H61 | 109.5° | 109.5° |
| C4 | C6 | H62 | 109.5° | 109.5° |
| C4 | C6 | H63 | 109.5° | 109.5° |
| CD2 | CG | CD1 | 119.2° | 120.1° |
| CD2 | CG | CB | 122.0° | 119.9° |
| CG | CD2 | HD2 | 119.4° | 120.0° |
| C5 | C4 | SI | 111.1° | 109.5° |
| C5 | C4 | H41 | 107.8° | 109.5° |
| C4 | C5 | H53 | 109.5° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| CD1 | CG | CB | 118.2° | 119.9° |
| CG | CD1 | HD1 | 120.2° | 120.0° |
| C4 | SI | ODE | 111.2° | 109.5° |
| C4 | SI | C7 | 97.9° | 109.5° |
| C4 | SI | C1 | 118.1° | 109.5° |
| SI | C4 | H41 | 105.4° | 109.5° |
| CG | CB | ODE | 111.8° | 109.5° |
| CG | CB | CA | 105.0° | 109.5° |
| CG | CB | HB2 | 110.0° | 109.5° |
| ODE | CB | CA | 108.8° | 109.5° |
| CB | ODE | SI | 130.0° | 114.0° |
| ODE | CB | HB2 | 111.6° | 109.4° |
| CB | CA | N | 109.8° | 109.4° |
| CB | CA | C | 116.3° | 109.5° |
| CB | CA | HA | 106.6° | 109.5° |
| CA | CB | HB2 | 109.3° | 109.5° |
| ODE | SI | C7 | 100.6° | 109.5° |
| ODE | SI | C1 | 110.8° | 109.5° |
| C7 | SI | C1 | 116.4° | 109.5° |
| SI | C7 | C8 | 112.7° | 109.5° |
| SI | C7 | C9 | 110.7° | 109.5° |
| SI | C7 | H71 | 104.0° | 109.4° |
| SI | C1 | C2 | 126.8° | 109.5° |
| SI | C1 | C3 | 116.3° | 109.5° |
| SI | C1 | H11 | 96.5° | 109.5° |
| C8 | C7 | C9 | 114.6° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.4° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C8 | C7 | H71 | 106.8° | 109.4° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| C7 | C9 | H93 | 109.5° | 109.5° |
| C7 | C9 | H91 | 109.5° | 109.5° |
| C9 | C7 | H71 | 107.2° | 109.5° |
| C2 | C1 | C3 | 111.6° | 109.5° |
| C1 | C2 | H21 | 109.5° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.5° |
| C2 | C1 | H11 | 98.4° | 109.5° |
| N | CA | C | 109.2° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 107.8° | 109.5° |
| C3 | C1 | H11 | 97.8° | 109.5° |
| C1 | C3 | H32 | 109.5° | 109.4° |
| C1 | C3 | H33 | 109.5° | 109.5° |
| C1 | C3 | H31 | 109.5° | 109.4° |
| CA | C | O | 122.0° | 120.0° |
| C | CA | HA | 106.9° | 109.5° |
| CA | C | OXT | 115.5° | 120.0° |
| O | C | OXT | 122.4° | 120.0° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H53 | C5 | H51 | 109.5° | 109.5° |
| H53 | C5 | H52 | 109.4° | 109.4° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.4° |
| H93 | C9 | H91 | 109.4° | 109.5° |
| H83 | C8 | H81 | 109.5° | 109.5° |
| H83 | C8 | H82 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H31 | 109.4° | 109.5° |
| H33 | C3 | H31 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH | CZ | CE2 | CE1 | 179.4° | 179.8° |
| OH | CZ | CE1 | CL | 3.2° | 0.0° |
| OH | CZ | CE2 | CD2 | 178.8° | 180.0° |
| OH | CZ | CE1 | CD1 | 177.8° | 180.0° |
| OH | CZ | CE2 | HE2 | 1.2° | 0.0° |
| CE2 | CZ | CE1 | CL | 177.4° | 179.7° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 1.6° | 0.2° |
| CZ | CE2 | CD2 | CG | 1.6° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 178.4° | 180.0° |
| CE2 | CZ | OH | HH | 180.0° | 90.0° |
| CZ | CE1 | CL | CD1 | 179.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.6° | 0.3° |
| CZ | CE1 | CD1 | CG | 0.3° | 0.0° |
| CZ | CE1 | CD1 | HD1 | 179.7° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.4° | 179.8° |
| CE1 | CZ | OH | HH | 0.6° | 90.2° |
| CL | CE1 | CD1 | CG | 178.7° | 180.0° |
| CL | CE1 | CD1 | HD1 | 1.3° | 0.1° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CD1 | 2.9° | 0.2° |
| CE2 | CD2 | CG | CB | 168.9° | 180.0° |
| CE1 | CD1 | CG | CD2 | 1.9° | 0.3° |
| CE1 | CD1 | CG | HD1 | 180.0° | 180.0° |
| CE1 | CD1 | CG | CB | 170.2° | 180.0° |
| C6 | C4 | C5 | SI | 127.5° | 120.0° |
| C6 | C4 | C5 | H41 | 117.4° | 120.0° |
| C6 | C4 | SI | H41 | 123.9° | 120.0° |
| C6 | C4 | SI | ODE | 44.1° | 54.0° |
| C6 | C4 | SI | C7 | 148.8° | 174.0° |
| C6 | C4 | SI | C1 | 85.5° | 66.0° |
| C6 | C4 | C5 | H53 | 180.0° | 172.0° |
| C6 | C4 | C5 | H51 | 60.0° | 68.0° |
| C6 | C4 | C5 | H52 | 60.0° | 52.0° |
| C4 | C6 | H61 | H62 | 120.0° | 120.0° |
| C4 | C6 | H61 | H63 | 120.0° | 120.0° |
| C4 | C6 | H62 | H63 | 120.0° | 120.0° |
| CD2 | CG | CD1 | CB | 172.1° | 179.7° |
| CD2 | CG | CB | ODE | 26.6° | 43.0° |
| CD2 | CG | CB | CA | 91.2° | 77.0° |
| CD2 | CG | CB | HB2 | 151.2° | 162.9° |
| CD2 | CG | CD1 | HD1 | 178.1° | 179.8° |
| CG | CD2 | CE2 | HE2 | 178.4° | 180.0° |
| C5 | C4 | SI | H41 | 116.5° | 120.0° |
| C5 | C4 | SI | ODE | 163.7° | 66.0° |
| C5 | C4 | SI | C7 | 91.7° | 54.0° |
| C5 | C4 | SI | C1 | 34.0° | 174.0° |
| C4 | C5 | H53 | H51 | 120.0° | 120.0° |
| C4 | C5 | H53 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 120.0° | 120.0° |
| C5 | C4 | C6 | H61 | 180.0° | 65.1° |
| C5 | C4 | C6 | H62 | 60.0° | 54.9° |
| C5 | C4 | C6 | H63 | 60.0° | 174.9° |
| CD1 | CG | CB | ODE | 161.5° | 137.3° |
| CD1 | CG | CB | CA | 80.6° | 102.7° |
| CD1 | CG | CB | HB2 | 36.9° | 17.3° |
| CD1 | CG | CD2 | HD2 | 177.1° | 179.8° |
| C4 | SI | ODE | CB | 84.5° | 72.9° |
| C4 | SI | ODE | C7 | 102.9° | 120.0° |
| C4 | SI | ODE | C1 | 133.4° | 120.0° |
| C4 | SI | C7 | C1 | 126.8° | 120.0° |
| C4 | SI | C7 | C8 | 51.1° | 46.2° |
| C4 | SI | C7 | C9 | 179.1° | 166.3° |
| C4 | SI | C1 | C2 | 67.6° | 73.5° |
| C4 | SI | C1 | C3 | 84.7° | 166.5° |
| SI | C4 | C5 | H53 | 52.5° | 52.0° |
| SI | C4 | C5 | H51 | 67.5° | 172.1° |
| SI | C4 | C5 | H52 | 172.5° | 68.0° |
| C4 | SI | C1 | H11 | 173.2° | 46.5° |
| C4 | SI | C7 | H71 | 64.3° | 73.7° |
| SI | C4 | C6 | H61 | 56.7° | 54.9° |
| SI | C4 | C6 | H62 | 176.7° | 174.9° |
| SI | C4 | C6 | H63 | 63.3° | 65.1° |
| CG | CB | ODE | CA | 115.5° | 120.0° |
| CG | CB | ODE | HB2 | 123.7° | 120.0° |
| CG | CB | CA | HB2 | 118.0° | 120.0° |
| CG | CB | ODE | SI | 109.0° | 97.1° |
| CG | CB | CA | N | 50.9° | 173.8° |
| CG | CB | CA | C | 175.4° | 66.2° |
| CG | CB | CA | HA | 65.5° | 53.8° |
| CB | CG | CD1 | HD1 | 9.9° | 0.1° |
| CB | CG | CD2 | HD2 | 11.1° | 0.0° |
| ODE | CB | CA | HB2 | 122.2° | 120.0° |
| CB | ODE | SI | C7 | 172.6° | 47.1° |
| CB | ODE | SI | C1 | 48.8° | 167.1° |
| ODE | CB | CA | N | 68.9° | 53.8° |
| ODE | CB | CA | C | 55.6° | 173.8° |
| ODE | CB | CA | HA | 174.6° | 66.2° |
| CA | CB | ODE | SI | 135.5° | 142.9° |
| CB | CA | N | C | 128.5° | 120.0° |
| CB | CA | N | HA | 115.7° | 120.0° |
| CB | CA | C | HA | 118.9° | 120.0° |
| CB | CA | C | O | 103.3° | 120.0° |
| CB | CA | N | H2 | 180.0° | 58.4° |
| CB | CA | N | H | 60.0° | 65.6° |
| CB | CA | C | OXT | 80.2° | 60.0° |
| ODE | SI | C7 | C1 | 119.8° | 120.0° |
| ODE | SI | C7 | C8 | 164.5° | 166.2° |
| ODE | SI | C7 | C9 | 65.7° | 73.7° |
| ODE | SI | C1 | C2 | 62.2° | 166.5° |
| ODE | SI | C1 | C3 | 145.5° | 46.5° |
| ODE | SI | C4 | H41 | 79.8° | 174.0° |
| ODE | SI | C1 | H11 | 43.4° | 73.5° |
| SI | ODE | CB | HB2 | 14.7° | 22.9° |
| ODE | SI | C7 | H71 | 49.1° | 46.3° |
| SI | C7 | C8 | C9 | 127.8° | 120.0° |
| SI | C7 | C8 | H71 | 113.6° | 119.9° |
| SI | C7 | C9 | H71 | 112.8° | 120.0° |
| C7 | SI | C1 | C2 | 176.3° | 46.5° |
| C7 | SI | C1 | C3 | 31.4° | 73.5° |
| C7 | SI | C4 | H41 | 24.9° | 66.1° |
| SI | C7 | C9 | H92 | 180.0° | 52.7° |
| SI | C7 | C9 | H93 | 60.0° | 67.3° |
| SI | C7 | C9 | H91 | 60.0° | 172.7° |
| SI | C7 | C8 | H83 | 180.0° | 57.1° |
| SI | C7 | C8 | H81 | 60.0° | 62.9° |
| SI | C7 | C8 | H82 | 60.0° | 177.0° |
| C7 | SI | C1 | H11 | 70.7° | 166.5° |
| C1 | SI | C7 | C8 | 75.7° | 73.8° |
| C1 | SI | C7 | C9 | 54.1° | 46.3° |
| SI | C1 | C2 | C3 | 153.4° | 120.0° |
| SI | C1 | C2 | H11 | 104.7° | 120.0° |
| SI | C1 | C3 | H11 | 101.3° | 120.0° |
| SI | C1 | C2 | H21 | 180.0° | 172.1° |
| SI | C1 | C2 | H22 | 60.0° | 52.1° |
| SI | C1 | C2 | H23 | 60.0° | 67.9° |
| C1 | SI | C4 | H41 | 150.5° | 54.0° |
| SI | C1 | C3 | H32 | 180.0° | 62.2° |
| SI | C1 | C3 | H33 | 60.0° | 177.7° |
| SI | C1 | C3 | H31 | 60.0° | 57.8° |
| C1 | SI | C7 | H71 | 168.9° | 166.3° |
| C8 | C7 | C9 | H71 | 118.3° | 120.0° |
| C8 | C7 | C9 | H92 | 51.2° | 172.7° |
| C8 | C7 | C9 | H93 | 171.2° | 52.7° |
| C8 | C7 | C9 | H91 | 68.8° | 67.3° |
| C7 | C8 | H83 | H81 | 120.0° | 120.0° |
| C7 | C8 | H83 | H82 | 120.0° | 119.9° |
| C7 | C8 | H81 | H82 | 120.0° | 120.1° |
| C7 | C9 | H92 | H93 | 120.0° | 120.0° |
| C7 | C9 | H92 | H91 | 120.0° | 120.0° |
| C7 | C9 | H93 | H91 | 120.0° | 120.0° |
| C9 | C7 | C8 | H83 | 52.2° | 62.9° |
| C9 | C7 | C8 | H81 | 67.8° | 177.1° |
| C9 | C7 | C8 | H82 | 172.2° | 57.0° |
| C2 | C1 | C3 | H11 | 102.3° | 120.0° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H23 | 120.0° | 120.1° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | C3 | H32 | 23.6° | 177.8° |
| C2 | C1 | C3 | H33 | 96.4° | 57.8° |
| C2 | C1 | C3 | H31 | 143.6° | 62.2° |
| N | CA | C | HA | 116.3° | 120.0° |
| N | CA | C | O | 21.5° | 0.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CB | HB2 | 168.9° | 66.2° |
| N | CA | C | OXT | 155.0° | 180.0° |
| C3 | C1 | C2 | H21 | 26.6° | 68.0° |
| C3 | C1 | C2 | H22 | 146.6° | 172.1° |
| C3 | C1 | C2 | H23 | 93.4° | 52.1° |
| C1 | C3 | H32 | H33 | 120.0° | 120.0° |
| C1 | C3 | H32 | H31 | 120.0° | 120.0° |
| C1 | C3 | H33 | H31 | 120.0° | 120.0° |
| CA | C | O | OXT | 176.2° | 180.0° |
| C | CA | N | H2 | 51.5° | 61.6° |
| C | CA | N | H | 68.5° | 174.4° |
| C | CA | CB | HB2 | 66.6° | 53.8° |
| CA | C | OXT | HXT | 176.5° | 180.0° |
| O | C | CA | HA | 137.8° | 120.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| H21 | C2 | H22 | H23 | 120.0° | 119.9° |
| H21 | C2 | C1 | H11 | 75.3° | 52.1° |
| H22 | C2 | C1 | H11 | 44.7° | 67.9° |
| H23 | C2 | C1 | H11 | 164.7° | 172.1° |
| H41 | C4 | C5 | H53 | 62.5° | 68.0° |
| H41 | C4 | C5 | H51 | 177.4° | 52.1° |
| H41 | C4 | C5 | H52 | 57.4° | 172.0° |
| H41 | C4 | C6 | H61 | 64.6° | 174.9° |
| H41 | C4 | C6 | H62 | 55.5° | 65.1° |
| H41 | C4 | C6 | H63 | 175.4° | 54.9° |
| H53 | C5 | H51 | H52 | 120.0° | 120.0° |
| H92 | C9 | H93 | H91 | 120.0° | 120.0° |
| H92 | C9 | C7 | H71 | 67.2° | 67.3° |
| H93 | C9 | C7 | H71 | 52.9° | 172.7° |
| H91 | C9 | C7 | H71 | 172.8° | 52.7° |
| H83 | C8 | H81 | H82 | 120.0° | 120.0° |
| H83 | C8 | C7 | H71 | 66.4° | 177.0° |
| H81 | C8 | C7 | H71 | 173.6° | 57.1° |
| H82 | C8 | C7 | H71 | 53.6° | 63.1° |
| H11 | C1 | C3 | H32 | 78.7° | 57.8° |
| H11 | C1 | C3 | H33 | 161.3° | 62.3° |
| H11 | C1 | C3 | H31 | 41.3° | 177.8° |
| H2 | N | CA | HA | 64.3° | 178.4° |
| H | N | CA | HA | 175.7° | 54.4° |
| HA | CA | CB | HB2 | 52.4° | 173.8° |
| HA | CA | C | OXT | 38.7° | 60.0° |
| HD2 | CD2 | CE2 | HE2 | 1.6° | 0.0° |
| H32 | C3 | H33 | H31 | 119.9° | 120.1° |
| H61 | C6 | H62 | H63 | 119.9° | 120.0° |
