TRX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 123.92Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.34Å | 1.43Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.47Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.42Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.41Å | 1.46Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.44Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.36Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CE2 | CZ2 | sing | 1.39Å | 1.49Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.40Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.47Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.44Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | OH2 | sing | 1.36Å | 1.41Å | |
| OH2 | HH2 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | C | 116.4° | 109.4° |
| N | CA | CB | 102.5° | 109.4° |
| N | CA | HA | 112.9° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| C | CA | CB | 117.4° | 109.5° |
| C | CA | HA | 96.2° | 109.5° |
| CA | C | O | 118.5° | 120.0° |
| CA | C | OXT | 46.7° | 120.0° |
| CB | CA | HA | 111.8° | 109.5° |
| CA | CB | CG | 118.8° | 109.5° |
| CA | CB | HB2 | 106.5° | 109.5° |
| CA | CB | HB3 | 106.5° | 109.4° |
| O | C | OXT | 148.6° | 120.0° |
| C | OXT | HXT | 90.0° | 117.0° |
| CG | CB | HB2 | 106.5° | 109.5° |
| CG | CB | HB3 | 106.5° | 109.5° |
| CB | CG | CD1 | 130.9° | 126.5° |
| CB | CG | CD2 | 124.5° | 126.5° |
| HB2 | CB | HB3 | 112.3° | 109.5° |
| CD1 | CG | CD2 | 104.6° | 107.0° |
| CG | CD1 | NE1 | 110.1° | 109.9° |
| CG | CD1 | HD1 | 125.0° | 125.0° |
| CG | CD2 | CE2 | 107.6° | 106.0° |
| CG | CD2 | CE3 | 133.2° | 133.9° |
| NE1 | CD1 | HD1 | 125.0° | 125.0° |
| CD1 | NE1 | CE2 | 109.6° | 109.9° |
| CD1 | NE1 | HE1 | 125.2° | 125.1° |
| CE2 | CD2 | CE3 | 119.2° | 120.0° |
| CD2 | CE2 | NE1 | 108.1° | 107.2° |
| CD2 | CE2 | CZ2 | 120.9° | 119.4° |
| CD2 | CE3 | CZ3 | 121.0° | 119.8° |
| CD2 | CE3 | HE3 | 119.5° | 120.0° |
| CE2 | NE1 | HE1 | 125.2° | 125.1° |
| NE1 | CE2 | CZ2 | 130.9° | 133.4° |
| CE2 | CZ2 | CH2 | 116.4° | 119.7° |
| CE2 | CZ2 | HZ2 | 121.8° | 120.1° |
| CZ3 | CE3 | HE3 | 119.5° | 120.1° |
| CE3 | CZ3 | CH2 | 121.5° | 120.5° |
| CE3 | CZ3 | HZ3 | 119.2° | 119.8° |
| CH2 | CZ2 | HZ2 | 121.8° | 120.2° |
| CZ2 | CH2 | CZ3 | 121.0° | 120.6° |
| CZ2 | CH2 | OH2 | 127.2° | 119.7° |
| CH2 | CZ3 | HZ3 | 119.2° | 119.8° |
| CZ3 | CH2 | OH2 | 111.8° | 119.7° |
| CH2 | OH2 | HH2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | CB | 122.0° | 120.0° |
| N | CA | C | HA | 119.5° | 120.0° |
| N | CA | CB | HA | 121.2° | 120.0° |
| N | CA | C | O | 127.9° | 20.0° |
| N | CA | C | OXT | 17.5° | 160.1° |
| N | CA | CB | CG | 179.9° | 65.0° |
| N | CA | CB | HB2 | 59.9° | 55.0° |
| N | CA | CB | HB3 | 60.1° | 174.9° |
| H | N | CA | C | 180.0° | 64.0° |
| H | N | CA | CB | 50.4° | 176.1° |
| H | N | CA | HA | 70.0° | 56.0° |
| H2 | N | CA | C | 60.0° | 60.0° |
| H2 | N | CA | CB | 170.4° | 60.0° |
| H2 | N | CA | HA | 50.0° | 180.0° |
| C | CA | CB | HA | 109.8° | 120.0° |
| CA | C | O | OXT | 52.6° | 179.9° |
| C | CA | CB | CG | 51.2° | 175.0° |
| C | CA | CB | HB2 | 171.2° | 65.0° |
| C | CA | CB | HB3 | 68.9° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CB | CA | C | O | 110.1° | 99.9° |
| CB | CA | C | OXT | 104.5° | 80.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 116.1° | 120.0° |
| CA | CB | CG | CD1 | 131.3° | 95.0° |
| CA | CB | CG | CD2 | 49.2° | 84.7° |
| HA | CA | C | O | 8.4° | 140.0° |
| HA | CA | C | OXT | 137.0° | 40.1° |
| HA | CA | CB | CG | 58.7° | 55.0° |
| HA | CA | CB | HB2 | 61.3° | 175.0° |
| HA | CA | CB | HB3 | 178.7° | 65.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| CG | CB | HB2 | HB3 | 116.2° | 120.0° |
| CB | CG | CD1 | CD2 | 179.6° | 179.8° |
| CB | CG | CD1 | NE1 | 179.4° | 179.9° |
| CB | CG | CD1 | HD1 | 0.6° | 0.0° |
| CB | CG | CD2 | CE2 | 179.4° | 179.9° |
| CB | CG | CD2 | CE3 | 0.0° | 0.0° |
| HB2 | CB | CG | CD1 | 108.7° | 145.0° |
| HB2 | CB | CG | CD2 | 70.8° | 35.3° |
| HB3 | CB | CG | CD1 | 11.3° | 25.0° |
| HB3 | CB | CG | CD2 | 169.2° | 155.3° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.2° |
| CD1 | CG | CD2 | CE3 | 179.6° | 179.8° |
| CG | CD1 | NE1 | CE2 | 0.0° | 0.1° |
| CG | CD1 | NE1 | HE1 | 179.9° | 180.0° |
| CD2 | CG | CD1 | NE1 | 0.1° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.7° |
| CG | CD2 | CE2 | CE3 | 179.5° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.1° | 0.1° |
| CG | CD2 | CE2 | CZ2 | 179.1° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 179.3° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.7° | 0.0° |
| CD1 | NE1 | CE2 | CD2 | 0.1° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.1° | 179.8° |
| HD1 | CD1 | NE1 | CE2 | 179.9° | 179.8° |
| HD1 | CD1 | NE1 | HE1 | 0.1° | 0.1° |
| CD2 | CE2 | NE1 | CZ2 | 179.2° | 179.8° |
| CD2 | CE2 | NE1 | HE1 | 180.0° | 179.9° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.9° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.8° | 0.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.2° | 179.9° |
| CE3 | CD2 | CE2 | NE1 | 179.7° | 179.9° |
| CE3 | CD2 | CE2 | CZ2 | 0.4° | 0.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.2° | 0.1° |
| CD2 | CE3 | CZ3 | HZ3 | 179.8° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.9° | 179.8° |
| NE1 | CE2 | CZ2 | HZ2 | 0.1° | 0.3° |
| HE1 | NE1 | CE2 | CZ2 | 0.9° | 0.0° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CE2 | CZ2 | CH2 | CZ3 | 0.9° | 0.1° |
| CE2 | CZ2 | CH2 | OH2 | 178.6° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.6° | 0.1° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | OH2 | 179.0° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.8° | 180.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.2° | 0.1° |
| CZ2 | CH2 | CZ3 | OH2 | 179.6° | 179.9° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.4° | 180.0° |
| CZ2 | CH2 | OH2 | HH2 | 180.0° | 90.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.1° | 180.0° |
| HZ2 | CZ2 | CH2 | OH2 | 1.4° | 0.1° |
| CZ3 | CH2 | OH2 | HH2 | 0.5° | 90.0° |
| HZ3 | CZ3 | CH2 | OH2 | 1.1° | 0.0° |
