TXY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OZ | CZ | sing | 1.35Å | 1.40Å | |
| OE2 | CE2 | sing | 1.43Å | 1.38Å | |
| CE2 | CZ | sing | 1.50Å | 1.49Å | |
| CE2 | CD2 | sing | 1.53Å | 1.48Å | |
| CZ | CE1 | doub | 1.34Å | 1.38Å | |
| CE1 | CD1 | sing | 1.47Å | 1.49Å | |
| CD2 | CG | sing | 1.51Å | 1.48Å | |
| CG | CD1 | doub | 1.33Å | 1.38Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| N | CA | sing | 1.47Å | 1.42Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| OXT | C | sing | 1.34Å | 1.34Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.08Å | 1.08Å | |
| CD2 | H9 | sing | 1.09Å | 1.10Å | |
| CD2 | H10 | sing | 1.09Å | 1.10Å | |
| CE1 | H11 | sing | 1.08Å | 1.08Å | |
| CE2 | H12 | sing | 1.09Å | 1.10Å | |
| OE2 | H13 | sing | 0.97Å | 0.95Å | |
| OZ | H14 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OZ | CZ | CE2 | 119.3° | 120.0° |
| OZ | CZ | CE1 | 120.4° | 119.8° |
| CZ | OZ | H14 | 109.5° | 114.1° |
| OE2 | CE2 | CZ | 109.4° | 109.4° |
| OE2 | CE2 | CD2 | 110.0° | 109.7° |
| OE2 | CE2 | H12 | 110.3° | 109.3° |
| CE2 | OE2 | H13 | 109.5° | 114.0° |
| CZ | CE2 | CD2 | 109.5° | 110.3° |
| CE2 | CZ | CE1 | 119.2° | 120.2° |
| CZ | CE2 | H12 | 108.8° | 109.4° |
| CE2 | CD2 | CG | 109.7° | 110.1° |
| CE2 | CD2 | H9 | 109.4° | 109.4° |
| CE2 | CD2 | H10 | 109.4° | 109.3° |
| CD2 | CE2 | H12 | 108.9° | 108.7° |
| CZ | CE1 | CD1 | 118.2° | 119.9° |
| CZ | CE1 | H11 | 120.9° | 120.1° |
| CE1 | CD1 | CG | 118.3° | 120.0° |
| CE1 | CD1 | H8 | 120.8° | 120.0° |
| CD1 | CE1 | H11 | 120.9° | 120.1° |
| CD2 | CG | CD1 | 120.5° | 120.3° |
| CD2 | CG | CB | 119.6° | 119.9° |
| CG | CD2 | H9 | 109.4° | 109.3° |
| CG | CD2 | H10 | 109.4° | 109.4° |
| CD1 | CG | CB | 119.6° | 119.9° |
| CG | CD1 | H8 | 120.8° | 120.0° |
| CG | CB | CA | 114.6° | 109.5° |
| CG | CB | H6 | 108.2° | 109.5° |
| CG | CB | H7 | 108.2° | 109.5° |
| N | CA | CB | 109.0° | 109.5° |
| N | CA | C | 114.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 110.0° | 109.5° |
| CB | CA | C | 106.4° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | H6 | 108.2° | 109.4° |
| CA | CB | H7 | 108.2° | 109.5° |
| CA | C | OXT | 117.1° | 120.0° |
| CA | C | O | 119.8° | 120.0° |
| C | CA | HA | 108.6° | 109.4° |
| OXT | C | O | 123.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H9 | CD2 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OZ | CZ | CE2 | OE2 | 26.3° | 24.4° |
| OZ | CZ | CE2 | CE1 | 167.9° | 179.4° |
| OZ | CZ | CE2 | CD2 | 146.9° | 145.2° |
| OZ | CZ | CE1 | CD1 | 179.0° | 178.7° |
| OZ | CZ | CE1 | H11 | 1.0° | 1.4° |
| OZ | CZ | CE2 | H12 | 94.2° | 95.3° |
| OE2 | CE2 | CZ | CD2 | 120.6° | 120.8° |
| OE2 | CE2 | CZ | H12 | 120.5° | 119.7° |
| OE2 | CE2 | CD2 | H12 | 120.9° | 119.5° |
| OE2 | CE2 | CZ | CE1 | 165.8° | 155.0° |
| OE2 | CE2 | CD2 | CG | 176.1° | 169.4° |
| OE2 | CE2 | CD2 | H9 | 63.9° | 49.3° |
| OE2 | CE2 | CD2 | H10 | 56.1° | 70.4° |
| CZ | CE2 | CD2 | H12 | 118.8° | 120.0° |
| CE2 | CZ | CE1 | CD1 | 13.3° | 0.7° |
| CZ | CE2 | CD2 | CG | 55.9° | 48.9° |
| CZ | CE2 | CD2 | H9 | 175.9° | 71.2° |
| CZ | CE2 | CD2 | H10 | 64.2° | 169.0° |
| CE2 | CZ | CE1 | H11 | 166.7° | 179.2° |
| CZ | CE2 | OE2 | H13 | 180.0° | 60.0° |
| CE2 | CZ | OZ | H14 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 45.2° | 34.2° |
| CE2 | CD2 | CG | H9 | 120.0° | 120.1° |
| CE2 | CD2 | CG | H10 | 120.0° | 120.1° |
| CE2 | CD2 | CG | CD1 | 40.3° | 34.9° |
| CE2 | CD2 | CG | CB | 133.2° | 145.3° |
| CE2 | CD2 | H9 | H10 | 119.9° | 119.7° |
| CD2 | CE2 | OE2 | H13 | 59.7° | 178.9° |
| CZ | CE1 | CD1 | H11 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | CG | 6.3° | 17.7° |
| CZ | CE1 | CD1 | H8 | 173.7° | 162.4° |
| CE1 | CZ | CE2 | H12 | 73.7° | 85.3° |
| CE1 | CZ | OZ | H14 | 12.3° | 0.6° |
| CE1 | CD1 | CG | CD2 | 8.3° | 1.4° |
| CE1 | CD1 | CG | H8 | 180.0° | 180.0° |
| CE1 | CD1 | CG | CB | 165.2° | 178.8° |
| CD2 | CG | CD1 | CB | 173.5° | 179.8° |
| CD2 | CG | CB | CA | 74.8° | 85.2° |
| CD2 | CG | CB | H6 | 46.0° | 154.8° |
| CD2 | CG | CB | H7 | 164.5° | 34.7° |
| CD2 | CG | CD1 | H8 | 171.7° | 178.5° |
| CG | CD2 | H9 | H10 | 119.9° | 119.7° |
| CG | CD2 | CE2 | H12 | 63.0° | 71.1° |
| CD1 | CG | CB | CA | 98.7° | 95.0° |
| CD1 | CG | CB | H6 | 140.5° | 25.0° |
| CD1 | CG | CB | H7 | 22.0° | 145.0° |
| CD1 | CG | CD2 | H9 | 160.3° | 85.2° |
| CD1 | CG | CD2 | H10 | 79.8° | 155.0° |
| CG | CD1 | CE1 | H11 | 173.7° | 162.4° |
| CG | CB | CA | N | 57.9° | 65.0° |
| CG | CB | CA | H6 | 120.8° | 120.0° |
| CG | CB | CA | H7 | 120.7° | 120.0° |
| CG | CB | CA | C | 178.5° | 175.0° |
| CG | CB | CA | HA | 61.9° | 55.0° |
| CG | CB | H6 | H7 | 117.6° | 120.0° |
| CB | CG | CD1 | H8 | 14.8° | 1.3° |
| CB | CG | CD2 | H9 | 13.2° | 94.5° |
| CB | CG | CD2 | H10 | 106.7° | 25.2° |
| N | CA | CB | C | 123.6° | 120.0° |
| N | CA | CB | HA | 119.7° | 120.0° |
| N | CA | C | HA | 123.1° | 120.0° |
| N | CA | C | OXT | 123.9° | 160.0° |
| N | CA | C | O | 56.3° | 20.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 178.7° | 55.0° |
| N | CA | CB | H7 | 62.8° | 175.0° |
| CB | CA | C | HA | 116.6° | 120.0° |
| CB | CA | C | OXT | 115.9° | 80.0° |
| CB | CA | C | O | 63.9° | 100.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | H6 | H7 | 117.7° | 120.0° |
| CA | C | OXT | O | 179.8° | 180.0° |
| C | CA | N | H | 61.2° | 60.0° |
| C | CA | N | H2 | 58.8° | 176.0° |
| C | CA | CB | H6 | 57.7° | 65.0° |
| C | CA | CB | H7 | 60.8° | 55.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| OXT | C | CA | HA | 0.7° | 40.0° |
| O | C | CA | HA | 179.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H | N | CA | HA | 61.2° | 180.0° |
| H2 | N | CA | HA | 178.8° | 56.1° |
| HA | CA | CB | H6 | 58.9° | 175.0° |
| HA | CA | CB | H7 | 177.4° | 65.0° |
| H8 | CD1 | CE1 | H11 | 6.3° | 17.6° |
| H9 | CD2 | CE2 | H12 | 57.1° | 168.8° |
| H10 | CD2 | CE2 | H12 | 177.0° | 49.1° |
| H12 | CE2 | OE2 | H13 | 60.4° | 59.8° |
