TH5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAH | sing | 1.51Å | 1.50Å | |
| CAH | OAD | doub | 1.21Å | 1.23Å | |
| CAH | OG1 | sing | 1.34Å | 1.42Å | |
| OG1 | CB | sing | 1.45Å | 1.41Å | |
| CB | CG2 | sing | 1.53Å | 1.57Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C | OXT | sing | 1.34Å | 1.28Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAH | OAD | 117.7° | 120.0° |
| CAA | CAH | OG1 | 120.6° | 120.0° |
| CAH | CAA | HAA1 | 109.5° | 109.4° |
| CAH | CAA | HAA2 | 109.5° | 109.4° |
| CAH | CAA | HAA3 | 109.4° | 109.4° |
| OAD | CAH | OG1 | 121.6° | 119.9° |
| CAH | OG1 | CB | 118.4° | 117.0° |
| OG1 | CB | CG2 | 110.4° | 109.5° |
| OG1 | CB | CA | 100.9° | 109.5° |
| OG1 | CB | HB | 115.2° | 109.5° |
| CG2 | CB | CA | 111.8° | 109.4° |
| CG2 | CB | HB | 104.9° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.4° |
| CB | CG2 | HG23 | 109.4° | 109.5° |
| CB | CA | C | 105.7° | 109.4° |
| CB | CA | N | 108.6° | 109.5° |
| CA | CB | HB | 113.8° | 109.4° |
| CB | CA | HA | 113.7° | 109.5° |
| C | CA | N | 113.0° | 109.5° |
| CA | C | OXT | 119.6° | 120.0° |
| CA | C | O | 112.7° | 120.0° |
| C | CA | HA | 109.4° | 109.5° |
| N | CA | HA | 106.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| OXT | C | O | 127.4° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAH | OAD | OG1 | 177.5° | 180.0° |
| CAA | CAH | OG1 | CB | 178.1° | 180.0° |
| CAH | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAH | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAH | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| OAD | CAH | OG1 | CB | 0.6° | 0.0° |
| OAD | CAH | CAA | HAA1 | 151.3° | 0.0° |
| OAD | CAH | CAA | HAA2 | 31.3° | 120.0° |
| OAD | CAH | CAA | HAA3 | 88.7° | 120.0° |
| CAH | OG1 | CB | CG2 | 88.7° | 90.0° |
| CAH | OG1 | CB | CA | 152.9° | 150.0° |
| OG1 | CAH | CAA | HAA1 | 26.3° | 180.0° |
| OG1 | CAH | CAA | HAA2 | 146.3° | 60.0° |
| OG1 | CAH | CAA | HAA3 | 93.7° | 60.0° |
| CAH | OG1 | CB | HB | 29.9° | 30.0° |
| OG1 | CB | CG2 | CA | 111.5° | 120.0° |
| OG1 | CB | CG2 | HB | 124.7° | 120.1° |
| OG1 | CB | CA | HB | 124.0° | 120.0° |
| OG1 | CB | CA | C | 175.7° | 55.0° |
| OG1 | CB | CA | N | 62.8° | 65.0° |
| OG1 | CB | CG2 | HG21 | 40.8° | 59.9° |
| OG1 | CB | CG2 | HG22 | 79.2° | 60.0° |
| OG1 | CB | CG2 | HG23 | 160.8° | 180.0° |
| OG1 | CB | CA | HA | 55.7° | 175.0° |
| CG2 | CB | CA | HB | 118.7° | 119.9° |
| CG2 | CB | CA | C | 58.3° | 175.0° |
| CG2 | CB | CA | N | 179.8° | 55.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 119.9° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.1° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CG2 | CB | CA | HA | 61.7° | 65.0° |
| CB | CA | C | N | 118.7° | 120.0° |
| CB | CA | C | HA | 122.8° | 120.0° |
| CB | CA | N | HA | 122.9° | 120.0° |
| CB | CA | C | OXT | 73.8° | 80.0° |
| CB | CA | C | O | 100.1° | 100.0° |
| CA | CB | CG2 | HG21 | 70.8° | 60.1° |
| CA | CB | CG2 | HG22 | 169.2° | 180.0° |
| CA | CB | CG2 | HG23 | 49.2° | 60.0° |
| CB | CA | N | H | 70.8° | 60.0° |
| CB | CA | N | H2 | 49.2° | 64.0° |
| C | CA | N | HA | 120.2° | 120.1° |
| CA | C | OXT | O | 172.9° | 180.0° |
| C | CA | CB | HB | 60.3° | 65.0° |
| C | CA | N | H | 46.2° | 60.0° |
| C | CA | N | H2 | 166.1° | 176.0° |
| CA | C | OXT | HXT | 172.9° | 180.0° |
| N | CA | C | OXT | 44.9° | 160.0° |
| N | CA | C | O | 141.3° | 20.0° |
| N | CA | CB | HB | 61.2° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| OXT | C | CA | HA | 163.4° | 39.9° |
| O | C | CA | HA | 22.7° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HB | CB | CG2 | HG21 | 165.4° | 180.0° |
| HB | CB | CG2 | HG22 | 45.4° | 60.0° |
| HB | CB | CG2 | HG23 | 74.6° | 59.9° |
| HB | CB | CA | HA | 179.6° | 55.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.1° |
| HA | CA | N | H | 166.3° | 180.0° |
| HA | CA | N | H2 | 73.7° | 56.0° |
