TIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD | doub | 1.36Å | 1.39Å | Aromatic |
| CG | SD | sing | 1.78Å | 1.66Å | Aromatic |
| CD | CE1 | sing | 1.38Å | 1.45Å | Aromatic |
| CD | HD | sing | 1.08Å | 1.10Å | |
| CE1 | CE2 | doub | 1.35Å | 1.42Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | SD | sing | 1.78Å | 1.71Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.0° | 106.8° |
| CA | N | H2 | 111.6° | 106.7° |
| N | CA | C | 111.1° | 109.5° |
| N | CA | CB | 112.5° | 109.4° |
| N | CA | HA | 107.2° | 109.4° |
| H | N | H2 | 111.7° | 106.7° |
| C | CA | CB | 112.3° | 109.5° |
| C | CA | HA | 107.4° | 109.5° |
| CA | C | O | 119.9° | 120.1° |
| CA | C | OXT | 117.3° | 120.0° |
| CB | CA | HA | 105.8° | 109.5° |
| CA | CB | CG | 114.8° | 109.5° |
| CA | CB | HB2 | 110.2° | 109.5° |
| CA | CB | HB3 | 110.2° | 109.4° |
| O | C | OXT | 122.8° | 119.9° |
| C | OXT | HXT | 117.3° | 120.1° |
| CG | CB | HB2 | 110.3° | 109.5° |
| CG | CB | HB3 | 110.3° | 109.4° |
| CB | CG | CD | 124.9° | 129.0° |
| CB | CG | SD | 126.4° | 129.1° |
| HB2 | CB | HB3 | 100.0° | 109.4° |
| CD | CG | SD | 108.4° | 101.9° |
| CG | CD | CE1 | 113.5° | 119.0° |
| CG | CD | HD | 127.1° | 120.5° |
| CG | SD | CE2 | 99.0° | 98.1° |
| CE1 | CD | HD | 119.4° | 120.5° |
| CD | CE1 | CE2 | 113.1° | 119.0° |
| CD | CE1 | HE1 | 93.3° | 120.5° |
| CE2 | CE1 | HE1 | 153.6° | 120.5° |
| CE1 | CE2 | SD | 106.0° | 102.0° |
| CE1 | CE2 | HE2 | 158.6° | 129.0° |
| SD | CE2 | HE2 | 95.5° | 129.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | C | CB | 127.0° | 120.0° |
| N | CA | C | HA | 117.0° | 119.9° |
| N | CA | CB | HA | 116.8° | 119.9° |
| N | CA | C | O | 4.4° | 30.0° |
| N | CA | C | OXT | 173.8° | 150.0° |
| N | CA | CB | CG | 60.5° | 60.0° |
| N | CA | CB | HB2 | 174.3° | 60.1° |
| N | CA | CB | HB3 | 64.8° | 180.0° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 53.1° | 53.8° |
| H | N | CA | HA | 62.9° | 66.2° |
| H2 | N | CA | C | 54.7° | 60.0° |
| H2 | N | CA | CB | 72.2° | 60.0° |
| H2 | N | CA | HA | 171.8° | 180.0° |
| C | CA | CB | HA | 116.9° | 120.1° |
| CA | C | O | OXT | 178.1° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| C | CA | CB | CG | 65.8° | 180.0° |
| C | CA | CB | HB2 | 59.5° | 59.9° |
| C | CA | CB | HB3 | 168.9° | 60.1° |
| CB | CA | C | O | 122.6° | 90.0° |
| CB | CA | C | OXT | 59.2° | 90.0° |
| CA | CB | CG | HB2 | 125.2° | 120.1° |
| CA | CB | CG | HB3 | 125.3° | 119.9° |
| CA | CB | HB2 | HB3 | 116.1° | 120.0° |
| CA | CB | CG | CD | 121.0° | 89.7° |
| CA | CB | CG | SD | 66.1° | 89.9° |
| HA | CA | C | O | 121.4° | 149.9° |
| HA | CA | C | OXT | 56.8° | 30.1° |
| HA | CA | CB | CG | 177.3° | 59.9° |
| HA | CA | CB | HB2 | 57.5° | 180.0° |
| HA | CA | CB | HB3 | 52.0° | 60.1° |
| O | C | OXT | HXT | 1.9° | 0.0° |
| CG | CB | HB2 | HB3 | 116.1° | 119.9° |
| CB | CG | CD | SD | 174.0° | 179.7° |
| CB | CG | CD | CE1 | 173.4° | 179.9° |
| CB | CG | CD | HD | 6.4° | 0.3° |
| CB | CG | SD | CE2 | 173.3° | 180.0° |
| HB2 | CB | CG | CD | 4.2° | 30.4° |
| HB2 | CB | CG | SD | 168.6° | 149.9° |
| HB3 | CB | CG | CD | 113.8° | 150.3° |
| HB3 | CB | CG | SD | 59.1° | 30.0° |
| CG | CD | CE1 | HD | 179.9° | 179.5° |
| CG | CD | CE1 | CE2 | 0.4° | 0.5° |
| CG | CD | CE1 | HE1 | 179.6° | 179.7° |
| CD | CG | SD | CE2 | 0.5° | 0.2° |
| SD | CG | CD | CE1 | 0.6° | 0.4° |
| SD | CG | CD | HD | 179.6° | 179.9° |
| CG | SD | CE2 | CE1 | 0.3° | 0.0° |
| CG | SD | CE2 | HE2 | 179.7° | 180.0° |
| CD | CE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD | CE1 | CE2 | SD | 0.0° | 0.2° |
| CD | CE1 | CE2 | HE2 | 180.0° | 179.8° |
| HD | CD | CE1 | CE2 | 179.8° | 180.0° |
| HD | CD | CE1 | HE1 | 0.2° | 0.2° |
| CE1 | CE2 | SD | HE2 | 180.0° | 180.0° |
| HE1 | CE1 | CE2 | SD | 180.0° | 179.9° |
| HE1 | CE1 | CE2 | HE2 | 0.0° | 0.1° |
