1TY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.52Å | 1.51Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | CG | sing | 1.50Å | 1.53Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 28.15Å | |
| CG | CD1 | sing | 1.49Å | 1.44Å | |
| CG | CD2 | doub | 1.34Å | 1.44Å | |
| CD1 | OX1 | doub | 1.23Å | 1.35Å | |
| CD1 | CE1 | sing | 1.48Å | 1.43Å | |
| CE1 | CZ | doub | 1.34Å | 1.43Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | sing | 1.48Å | 1.45Å | |
| CD2 | HD2 | sing | 1.09Å | 1.08Å | |
| CE2 | NX1 | doub | 1.30Å | 1.46Å | |
| CE2 | CZ | sing | 1.48Å | 1.43Å | |
| NX1 | C1 | sing | 1.45Å | 1.47Å | |
| CZ | OH | sing | 1.38Å | 1.37Å | |
| OH | HH | sing | 0.96Å | 0.95Å | |
| C3' | C2' | doub | 1.39Å | 1.43Å | Aromatic |
| C3' | C4' | sing | 1.39Å | 1.42Å | Aromatic |
| C3' | H3' | sing | 1.09Å | 1.08Å | |
| C2' | C1' | sing | 1.39Å | 1.44Å | Aromatic |
| C2' | H2' | sing | 1.09Å | 1.08Å | |
| C1' | C6' | doub | 1.39Å | 1.43Å | Aromatic |
| C1' | C2 | sing | 1.51Å | 1.52Å | |
| C6' | C5' | sing | 1.39Å | 1.43Å | Aromatic |
| C6' | H6' | sing | 1.09Å | 1.08Å | |
| C5' | C4' | doub | 1.39Å | 1.46Å | Aromatic |
| C5' | H5' | sing | 1.09Å | 1.08Å | |
| C4' | H4' | sing | 1.09Å | 1.08Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 118.0° |
| CA | N | H2 | 109.5° | 118.0° |
| N | CA | CB | 106.4° | 110.2° |
| N | CA | C | 115.0° | 106.3° |
| N | CA | HA | 106.6° | 109.6° |
| H | N | H2 | 109.5° | 122.6° |
| CB | CA | C | 105.3° | 112.9° |
| CB | CA | HA | 116.1° | 109.5° |
| CA | CB | CG | 121.2° | 112.2° |
| CA | CB | HB2 | 103.0° | 111.1° |
| CA | CB | HB3 | 105.7° | 110.3° |
| C | CA | HA | 107.7° | 108.3° |
| CA | C | O | 121.2° | 125.2° |
| CA | C | OXT | 45.1° | 112.0° |
| CG | CB | HB2 | 103.0° | 108.6° |
| CG | CB | HB3 | 105.8° | 107.5° |
| CB | CG | CD1 | 121.5° | 117.2° |
| CB | CG | CD2 | 116.5° | 122.8° |
| HB2 | CB | HB3 | 119.2° | 107.0° |
| O | C | OXT | 92.9° | 122.7° |
| C | OXT | HXT | 45.1° | 114.8° |
| CD1 | CG | CD2 | 122.0° | 120.0° |
| CG | CD1 | OX1 | 120.2° | 122.0° |
| CG | CD1 | CE1 | 119.6° | 117.7° |
| CG | CD2 | CE2 | 117.1° | 122.4° |
| CG | CD2 | HD2 | 121.5° | 120.7° |
| OX1 | CD1 | CE1 | 120.3° | 120.3° |
| CD1 | CE1 | CZ | 119.5° | 122.0° |
| CD1 | CE1 | HE1 | 120.3° | 117.1° |
| CZ | CE1 | HE1 | 120.3° | 121.0° |
| CE1 | CZ | CE2 | 120.9° | 120.6° |
| CE1 | CZ | OH | 121.2° | 120.7° |
| CE2 | CD2 | HD2 | 121.4° | 116.9° |
| CD2 | CE2 | NX1 | 121.7° | 122.0° |
| CD2 | CE2 | CZ | 121.0° | 117.2° |
| NX1 | CE2 | CZ | 117.3° | 120.8° |
| CE2 | NX1 | C1 | 126.8° | 114.3° |
| CE2 | CZ | OH | 117.9° | 118.7° |
| NX1 | C1 | C2 | 109.6° | 109.9° |
| NX1 | C1 | H11 | 109.4° | 108.3° |
| NX1 | C1 | H12 | 109.4° | 109.6° |
| CZ | OH | HH | 109.5° | 109.8° |
| C2' | C3' | C4' | 120.4° | 120.0° |
| C2' | C3' | H3' | 119.8° | 120.0° |
| C3' | C2' | C1' | 119.9° | 119.4° |
| C3' | C2' | H2' | 120.0° | 119.5° |
| C4' | C3' | H3' | 119.8° | 120.0° |
| C3' | C4' | C5' | 120.1° | 120.0° |
| C3' | C4' | H4' | 120.0° | 120.0° |
| C1' | C2' | H2' | 120.0° | 121.1° |
| C2' | C1' | C6' | 120.0° | 121.3° |
| C2' | C1' | C2 | 120.1° | 119.4° |
| C6' | C1' | C2 | 119.9° | 119.4° |
| C1' | C6' | C5' | 120.3° | 119.4° |
| C1' | C6' | H6' | 119.8° | 121.2° |
| C1' | C2 | C1 | 112.6° | 113.0° |
| C1' | C2 | H21 | 107.7° | 109.8° |
| C1' | C2 | H22 | 108.4° | 108.5° |
| C5' | C6' | H6' | 119.8° | 119.5° |
| C6' | C5' | C4' | 119.2° | 120.0° |
| C6' | C5' | H5' | 120.4° | 120.0° |
| C4' | C5' | H5' | 120.4° | 120.0° |
| C5' | C4' | H4' | 119.9° | 120.0° |
| C1 | C2 | H21 | 107.7° | 110.1° |
| C1 | C2 | H22 | 108.4° | 109.3° |
| C2 | C1 | H11 | 109.4° | 109.6° |
| C2 | C1 | H12 | 109.5° | 111.7° |
| H21 | C2 | H22 | 112.0° | 105.9° |
| H11 | C1 | H12 | 109.5° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 165.9° |
| N | CA | CB | C | 122.6° | 118.6° |
| N | CA | CB | HA | 118.4° | 120.6° |
| N | CA | C | HA | 118.7° | 117.7° |
| N | CA | CB | CG | 44.4° | 179.4° |
| N | CA | CB | HB2 | 158.5° | 57.5° |
| N | CA | CB | HB3 | 75.7° | 60.9° |
| N | CA | C | O | 31.4° | 32.2° |
| N | CA | C | OXT | 27.3° | 147.5° |
| H | N | CA | CB | 121.4° | 155.3° |
| H | N | CA | C | 5.2° | 32.7° |
| H | N | CA | HA | 114.0° | 84.2° |
| H2 | N | CA | CB | 118.5° | 38.1° |
| H2 | N | CA | C | 125.3° | 160.7° |
| H2 | N | CA | HA | 6.0° | 82.4° |
| CB | CA | C | HA | 124.5° | 121.4° |
| CA | CB | CG | HB2 | 114.2° | 123.2° |
| CA | CB | CG | HB3 | 120.0° | 121.4° |
| CA | CB | HB2 | HB3 | 116.6° | 120.4° |
| CB | CA | C | O | 85.4° | 88.6° |
| CB | CA | C | OXT | 144.1° | 91.6° |
| CA | CB | CG | CD1 | 88.8° | 86.8° |
| CA | CB | CG | CD2 | 91.2° | 93.2° |
| C | CA | CB | CG | 166.9° | 60.7° |
| C | CA | CB | HB2 | 78.9° | 61.1° |
| C | CA | CB | HB3 | 46.9° | 179.5° |
| CA | C | O | OXT | 37.3° | 179.7° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| HA | CA | CB | CG | 74.1° | 60.0° |
| HA | CA | CB | HB2 | 40.1° | 178.2° |
| HA | CA | CB | HB3 | 165.9° | 59.7° |
| HA | CA | C | O | 150.1° | 150.0° |
| HA | CA | C | OXT | 91.4° | 29.8° |
| CG | CB | HB2 | HB3 | 116.6° | 115.7° |
| CB | CG | CD1 | CD2 | 179.9° | 179.9° |
| CB | CG | CD1 | OX1 | 0.2° | 0.0° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CB | CG | CD2 | CE2 | 179.9° | 179.9° |
| CB | CG | CD2 | HD2 | 0.1° | 0.1° |
| HB2 | CB | CG | CD1 | 25.3° | 149.9° |
| HB2 | CB | CG | CD2 | 154.6° | 30.0° |
| HB3 | CB | CG | CD1 | 151.2° | 34.6° |
| HB3 | CB | CG | CD2 | 28.8° | 145.4° |
| O | C | OXT | HXT | 47.0° | 0.0° |
| CG | CD1 | OX1 | CE1 | 179.9° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.0° |
| CD1 | CG | CD2 | HD2 | 180.0° | 180.0° |
| CD2 | CG | CD1 | OX1 | 179.9° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.0° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | NX1 | 179.8° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.0° |
| OX1 | CD1 | CE1 | CZ | 179.9° | 179.9° |
| OX1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | OH | 179.9° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | NX1 | 179.8° | 179.9° |
| CE1 | CZ | CE2 | OH | 179.9° | 179.9° |
| CE1 | CZ | OH | HH | 102.3° | 6.7° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ | OH | 0.1° | 0.1° |
| CD2 | CE2 | NX1 | CZ | 179.7° | 179.9° |
| CD2 | CE2 | NX1 | C1 | 0.0° | 0.0° |
| CD2 | CE2 | CZ | OH | 179.9° | 179.9° |
| HD2 | CD2 | CE2 | NX1 | 0.3° | 0.0° |
| HD2 | CD2 | CE2 | CZ | 180.0° | 179.9° |
| NX1 | CE2 | CZ | OH | 0.1° | 0.0° |
| CE2 | NX1 | C1 | C2 | 143.4° | 179.7° |
| CE2 | NX1 | C1 | H11 | 96.6° | 59.9° |
| CE2 | NX1 | C1 | H12 | 23.4° | 57.2° |
| CZ | CE2 | NX1 | C1 | 179.7° | 179.9° |
| CE2 | CZ | OH | HH | 77.7° | 173.2° |
| NX1 | C1 | C2 | C1' | 153.5° | 61.1° |
| NX1 | C1 | C2 | H11 | 120.0° | 118.9° |
| NX1 | C1 | C2 | H12 | 120.0° | 121.8° |
| NX1 | C1 | C2 | H21 | 87.9° | 62.1° |
| NX1 | C1 | C2 | H22 | 33.5° | 178.1° |
| NX1 | C1 | H11 | H12 | 120.0° | 118.4° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C3' | C2' | C1' | H2' | 180.0° | 180.0° |
| C3' | C2' | C1' | C6' | 0.1° | 0.0° |
| C3' | C2' | C1' | C2 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.0° | 0.0° |
| C2' | C3' | C4' | H4' | 180.0° | 180.0° |
| C4' | C3' | C2' | C1' | 0.1° | 0.0° |
| C4' | C3' | C2' | H2' | 179.9° | 180.0° |
| C3' | C4' | C5' | C6' | 0.0° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | H5' | 180.0° | 180.0° |
| H3' | C3' | C2' | C1' | 179.9° | 180.0° |
| H3' | C3' | C2' | H2' | 0.1° | 0.1° |
| H3' | C3' | C4' | C5' | 180.0° | 180.0° |
| H3' | C3' | C4' | H4' | 0.0° | 0.0° |
| C2' | C1' | C6' | C2 | 179.9° | 180.0° |
| C2' | C1' | C6' | C5' | 0.1° | 0.0° |
| C2' | C1' | C6' | H6' | 179.9° | 180.0° |
| C2' | C1' | C2 | C1 | 63.8° | 90.0° |
| C2' | C1' | C2 | H21 | 54.8° | 33.3° |
| C2' | C1' | C2 | H22 | 176.2° | 148.6° |
| H2' | C2' | C1' | C6' | 179.9° | 180.0° |
| H2' | C2' | C1' | C2 | 0.0° | 0.0° |
| C1' | C6' | C5' | H6' | 180.0° | 180.0° |
| C1' | C6' | C5' | C4' | 0.0° | 0.0° |
| C1' | C6' | C5' | H5' | 180.0° | 180.0° |
| C6' | C1' | C2 | C1 | 116.3° | 90.0° |
| C6' | C1' | C2 | H21 | 125.1° | 146.7° |
| C6' | C1' | C2 | H22 | 3.7° | 31.3° |
| C2 | C1' | C6' | C5' | 180.0° | 180.0° |
| C2 | C1' | C6' | H6' | 0.0° | 0.0° |
| C1' | C2 | C1 | H21 | 118.6° | 123.2° |
| C1' | C2 | C1 | H22 | 120.0° | 120.9° |
| C1' | C2 | H21 | H22 | 119.1° | 116.9° |
| C1' | C2 | C1 | H11 | 86.5° | 180.0° |
| C1' | C2 | C1 | H12 | 33.5° | 60.8° |
| C6' | C5' | C4' | H5' | 180.0° | 180.0° |
| C6' | C5' | C4' | H4' | 180.0° | 180.0° |
| H6' | C6' | C5' | C4' | 180.0° | 180.0° |
| H6' | C6' | C5' | H5' | 0.0° | 0.0° |
| H5' | C5' | C4' | H4' | 0.0° | 0.0° |
| C1 | C2 | H21 | H22 | 119.1° | 118.0° |
| C2 | C1 | H11 | H12 | 120.0° | 121.7° |
| H21 | C2 | C1 | H11 | 32.1° | 56.8° |
| H21 | C2 | C1 | H12 | 152.1° | 176.1° |
| H22 | C2 | C1 | H11 | 153.5° | 59.1° |
| H22 | C2 | C1 | H12 | 86.5° | 60.1° |
