TA2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH1 | COH | sing | 1.43Å | 1.40Å | |
| OH1 | HOH1 | sing | 0.97Å | 0.95Å | |
| COH | C | sing | 1.51Å | 1.53Å | |
| COH | CA | sing | 1.53Å | 1.52Å | |
| COH | HOH | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.29Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | CG | sing | 1.51Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG | CD2 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | doub | 1.38Å | 1.42Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | CE1 | sing | 1.38Å | 1.42Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE1 | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 90.32Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| COH | OH1 | HOH1 | 109.5° | 114.0° |
| OH1 | COH | C | 111.8° | 109.4° |
| OH1 | COH | CA | 112.1° | 109.4° |
| OH1 | COH | HOH | 109.0° | 109.4° |
| C | COH | CA | 108.9° | 109.5° |
| C | COH | HOH | 107.3° | 109.5° |
| COH | C | O | 120.6° | 120.0° |
| COH | C | OXT | 56.7° | 119.9° |
| CA | COH | HOH | 107.5° | 109.5° |
| COH | CA | N | 112.4° | 109.5° |
| COH | CA | CG | 110.7° | 109.5° |
| COH | CA | HA | 107.9° | 109.4° |
| O | C | OXT | 176.1° | 120.0° |
| N | CA | CG | 109.8° | 109.5° |
| N | CA | HA | 108.3° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.4° | 111.0° |
| CG | CA | HA | 107.5° | 109.5° |
| CA | CG | CD2 | 114.5° | 120.0° |
| CA | CG | CD1 | 124.3° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| CD2 | CG | CD1 | 120.9° | 120.0° |
| CG | CD2 | CE2 | 120.4° | 120.0° |
| CG | CD2 | HD2 | 119.8° | 120.0° |
| CG | CD1 | CE1 | 118.7° | 120.0° |
| CG | CD1 | HD1 | 120.6° | 120.0° |
| CE2 | CD2 | HD2 | 119.8° | 120.0° |
| CD2 | CE2 | CZ | 119.2° | 120.0° |
| CD2 | CE2 | HE2 | 120.4° | 120.0° |
| CZ | CE2 | HE2 | 120.4° | 120.0° |
| CE2 | CZ | CE1 | 120.0° | 120.0° |
| CE2 | CZ | HZ | 120.0° | 120.0° |
| CE1 | CZ | HZ | 120.0° | 120.0° |
| CZ | CE1 | CD1 | 120.8° | 120.0° |
| CZ | CE1 | HE1 | 119.6° | 120.0° |
| CD1 | CE1 | HE1 | 119.6° | 120.0° |
| CE1 | CD1 | HD1 | 120.6° | 120.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH1 | COH | C | CA | 124.4° | 120.0° |
| OH1 | COH | C | HOH | 119.5° | 119.9° |
| OH1 | COH | CA | HOH | 119.8° | 119.9° |
| OH1 | COH | C | O | 30.8° | 5.0° |
| OH1 | COH | CA | N | 76.7° | 60.0° |
| OH1 | COH | CA | CG | 46.5° | 60.0° |
| OH1 | COH | CA | HA | 163.9° | 180.0° |
| OH1 | COH | C | OXT | 152.6° | 175.0° |
| HOH1 | OH1 | COH | C | 13.4° | 60.0° |
| HOH1 | OH1 | COH | CA | 109.2° | 60.0° |
| HOH1 | OH1 | COH | HOH | 131.9° | 180.0° |
| C | COH | CA | HOH | 116.0° | 120.1° |
| COH | C | O | OXT | 46.5° | 180.0° |
| C | COH | CA | N | 47.5° | 60.0° |
| C | COH | CA | CG | 170.7° | 180.0° |
| C | COH | CA | HA | 71.9° | 60.1° |
| COH | C | OXT | HXT | 90.0° | 179.9° |
| CA | COH | C | O | 93.7° | 114.9° |
| COH | CA | N | CG | 123.7° | 120.0° |
| COH | CA | N | HA | 119.1° | 120.0° |
| COH | CA | CG | HA | 117.7° | 119.9° |
| COH | CA | N | H | 180.0° | 64.0° |
| COH | CA | N | H2 | 60.0° | 60.0° |
| COH | CA | CG | CD2 | 130.5° | 100.0° |
| COH | CA | CG | CD1 | 54.4° | 80.3° |
| CA | COH | C | OXT | 83.0° | 65.0° |
| HOH | COH | C | O | 150.2° | 125.0° |
| HOH | COH | CA | N | 163.5° | 179.9° |
| HOH | COH | CA | CG | 73.3° | 59.9° |
| HOH | COH | CA | HA | 44.1° | 60.0° |
| HOH | COH | C | OXT | 33.1° | 55.1° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| N | CA | CG | HA | 117.7° | 120.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CG | CD2 | 5.8° | 140.0° |
| N | CA | CG | CD1 | 179.1° | 39.7° |
| CG | CA | N | H | 56.3° | 176.0° |
| CG | CA | N | H2 | 176.3° | 60.0° |
| CA | CG | CD2 | CD1 | 175.3° | 179.7° |
| CA | CG | CD2 | CE2 | 175.0° | 180.0° |
| CA | CG | CD2 | HD2 | 5.0° | 0.0° |
| CA | CG | CD1 | CE1 | 174.6° | 179.8° |
| CA | CG | CD1 | HD1 | 5.5° | 0.1° |
| HA | CA | N | H | 60.9° | 56.0° |
| HA | CA | N | H2 | 59.2° | 180.0° |
| HA | CA | CG | CD2 | 111.8° | 20.0° |
| HA | CA | CG | CD1 | 63.2° | 159.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.8° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.5° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.8° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.5° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.9° | 179.7° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | HZ | 179.9° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.1° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.0° | 0.2° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 179.9° |
| HE2 | CE2 | CZ | CE1 | 179.9° | 180.0° |
| HE2 | CE2 | CZ | HZ | 0.1° | 0.1° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 179.8° |
| HZ | CZ | CE1 | CD1 | 180.0° | 179.9° |
| HZ | CZ | CE1 | HE1 | 0.0° | 0.0° |
| HE1 | CE1 | CD1 | HD1 | 0.1° | 0.0° |
