A1CTT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | CG1 | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE | sing | 1.38Å | 1.39Å | Aromatic |
| CG1 | CB | sing | 1.38Å | 1.41Å | Aromatic |
| CB2 | CA | sing | 1.53Å | 1.54Å | |
| CE | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CB | CA | sing | 1.51Å | 1.53Å | |
| CB | CG2 | doub | 1.38Å | 1.41Å | Aromatic |
| CD2 | CG2 | sing | 1.38Å | 1.39Å | Aromatic |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB2 | H1 | sing | 1.09Å | 1.10Å | |
| CB2 | H4 | sing | 1.09Å | 1.10Å | |
| CB2 | H3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG1 | H7 | sing | 1.08Å | 1.08Å | |
| CD1 | H8 | sing | 1.08Å | 1.08Å | |
| CE | H9 | sing | 1.08Å | 1.08Å | |
| CD2 | H10 | sing | 1.08Å | 1.08Å | |
| CG2 | H11 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG1 | CD1 | CE | 120.6° | 120.0° |
| CD1 | CG1 | CB | 120.9° | 120.0° |
| CD1 | CG1 | H7 | 119.6° | 120.0° |
| CG1 | CD1 | H8 | 119.7° | 119.9° |
| CD1 | CE | CD2 | 119.8° | 120.1° |
| CE | CD1 | H8 | 119.7° | 120.1° |
| CD1 | CE | H9 | 120.1° | 120.0° |
| CG1 | CB | CA | 122.1° | 120.0° |
| CG1 | CB | CG2 | 117.3° | 120.0° |
| CB | CG1 | H7 | 119.6° | 120.0° |
| CB2 | CA | CB | 110.9° | 109.5° |
| CB2 | CA | N | 104.5° | 109.4° |
| CB2 | CA | C | 112.8° | 109.5° |
| CA | CB2 | H1 | 109.5° | 109.5° |
| CA | CB2 | H4 | 109.5° | 109.4° |
| CA | CB2 | H3 | 109.4° | 109.5° |
| CE | CD2 | CG2 | 119.8° | 119.9° |
| CD2 | CE | H9 | 120.1° | 119.9° |
| CE | CD2 | H10 | 120.1° | 120.0° |
| CA | CB | CG2 | 120.6° | 120.1° |
| CB | CA | N | 111.8° | 109.4° |
| CB | CA | C | 104.5° | 109.5° |
| CB | CG2 | CD2 | 121.6° | 120.1° |
| CB | CG2 | H11 | 119.2° | 120.0° |
| CG2 | CD2 | H10 | 120.1° | 120.0° |
| CD2 | CG2 | H11 | 119.2° | 120.0° |
| N | CA | C | 112.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 121.1° | 120.0° |
| CA | C | OXT | 115.7° | 120.0° |
| O | C | OXT | 123.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | CB2 | H4 | 109.5° | 109.5° |
| H1 | CB2 | H3 | 109.5° | 109.5° |
| H4 | CB2 | H3 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG1 | CD1 | CE | H8 | 180.0° | 180.0° |
| CD1 | CG1 | CB | H7 | 180.0° | 180.0° |
| CG1 | CD1 | CE | CD2 | 0.9° | 0.0° |
| CD1 | CG1 | CB | CA | 179.0° | 180.0° |
| CD1 | CG1 | CB | CG2 | 1.1° | 0.3° |
| CG1 | CD1 | CE | H9 | 179.1° | 179.9° |
| CE | CD1 | CG1 | CB | 0.0° | 0.0° |
| CD1 | CE | CD2 | H9 | 180.0° | 179.9° |
| CD1 | CE | CD2 | CG2 | 0.7° | 0.3° |
| CE | CD1 | CG1 | H7 | 180.0° | 180.0° |
| CD1 | CE | CD2 | H10 | 179.3° | 180.0° |
| CG1 | CB | CA | CB2 | 32.7° | 29.8° |
| CG1 | CB | CA | CG2 | 177.8° | 179.7° |
| CG1 | CB | CG2 | CD2 | 1.3° | 0.6° |
| CG1 | CB | CA | N | 148.8° | 149.7° |
| CG1 | CB | CA | C | 89.1° | 90.3° |
| CB | CG1 | CD1 | H8 | 179.9° | 180.0° |
| CG1 | CB | CG2 | H11 | 178.7° | 179.8° |
| CB2 | CA | CB | N | 116.2° | 119.9° |
| CB2 | CA | CB | C | 121.7° | 120.1° |
| CB2 | CA | CB | CG2 | 149.5° | 149.9° |
| CB2 | CA | N | C | 122.7° | 120.0° |
| CB2 | CA | C | O | 14.8° | 95.1° |
| CB2 | CA | C | OXT | 165.3° | 85.0° |
| CA | CB2 | H1 | H4 | 120.0° | 120.0° |
| CA | CB2 | H1 | H3 | 120.0° | 120.0° |
| CA | CB2 | H4 | H3 | 119.9° | 120.0° |
| CB2 | CA | N | H | 180.0° | 180.0° |
| CB2 | CA | N | H2 | 60.0° | 56.0° |
| CE | CD2 | CG2 | CB | 0.5° | 0.6° |
| CE | CD2 | CG2 | H10 | 180.0° | 179.8° |
| CD2 | CE | CD1 | H8 | 179.1° | 180.0° |
| CE | CD2 | CG2 | H11 | 179.5° | 179.8° |
| CA | CB | CG2 | CD2 | 179.2° | 179.7° |
| CB | CA | N | C | 117.3° | 120.0° |
| CB | CA | C | O | 105.7° | 25.0° |
| CB | CA | C | OXT | 74.2° | 155.0° |
| CB | CA | CB2 | H1 | 180.0° | 59.9° |
| CB | CA | CB2 | H4 | 60.0° | 60.1° |
| CB | CA | CB2 | H3 | 60.0° | 180.0° |
| CB | CA | N | H | 60.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | CG1 | H7 | 1.0° | 0.1° |
| CA | CB | CG2 | H11 | 0.8° | 0.0° |
| CB | CG2 | CD2 | H11 | 180.0° | 179.7° |
| CG2 | CB | CA | N | 33.3° | 30.0° |
| CG2 | CB | CA | C | 88.7° | 90.0° |
| CG2 | CB | CG1 | H7 | 178.9° | 179.7° |
| CB | CG2 | CD2 | H10 | 179.5° | 179.7° |
| CG2 | CD2 | CE | H9 | 179.3° | 179.8° |
| N | CA | C | O | 132.8° | 145.0° |
| N | CA | C | OXT | 47.3° | 35.0° |
| N | CA | CB2 | H1 | 59.4° | 60.0° |
| N | CA | CB2 | H4 | 60.6° | 180.0° |
| N | CA | CB2 | H3 | 179.4° | 60.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| CA | C | O | OXT | 179.8° | 180.0° |
| C | CA | CB2 | H1 | 63.2° | 180.0° |
| C | CA | CB2 | H4 | 176.8° | 60.0° |
| C | CA | CB2 | H3 | 56.8° | 59.9° |
| C | CA | N | H | 57.3° | 60.0° |
| C | CA | N | H2 | 177.3° | 176.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| H1 | CB2 | H4 | H3 | 120.0° | 120.0° |
| H7 | CG1 | CD1 | H8 | 0.0° | 0.1° |
| H8 | CD1 | CE | H9 | 0.9° | 0.1° |
| H9 | CE | CD2 | H10 | 0.7° | 0.0° |
| H10 | CD2 | CG2 | H11 | 0.4° | 0.0° |
