TPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| C | C3 | sing | 1.53Å | 1.54Å | |
| C | CA | sing | 1.53Å | 1.55Å | |
| C3 | O4 | sing | 1.43Å | 1.42Å | |
| CA | CB | sing | 1.54Å | 1.53Å | |
| CA | N | sing | 1.49Å | 1.47Å | |
| CB | CG | sing | 1.54Å | 1.51Å | |
| CG | CD | sing | 1.54Å | 1.53Å | |
| CD | N | sing | 1.49Å | 1.47Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C3 | 102.1° | 109.4° |
| O | C | CA | 111.0° | 109.5° |
| O | C | H1 | 109.5° | 109.5° |
| C | O | HO | 109.5° | 114.0° |
| C3 | C | CA | 117.9° | 109.5° |
| C | C3 | O4 | 112.0° | 109.5° |
| C3 | C | H1 | 108.1° | 109.4° |
| C | C3 | H3 | 108.8° | 109.4° |
| C | C3 | H3A | 108.9° | 109.4° |
| C | CA | CB | 111.1° | 110.4° |
| C | CA | N | 110.3° | 110.4° |
| CA | C | H1 | 107.9° | 109.5° |
| C | CA | HA | 110.5° | 110.3° |
| O4 | C3 | H3 | 108.8° | 109.5° |
| O4 | C3 | H3A | 108.8° | 109.5° |
| C3 | O4 | HO4 | 109.5° | 114.0° |
| CB | CA | N | 102.4° | 104.6° |
| CA | CB | CG | 108.7° | 105.1° |
| CB | CA | HA | 110.7° | 110.4° |
| CA | CB | HB2 | 109.7° | 110.4° |
| CA | CB | HB3 | 109.6° | 110.3° |
| CA | N | CD | 112.9° | 104.2° |
| N | CA | HA | 111.6° | 110.5° |
| CA | N | H | 108.6° | 111.0° |
| CB | CG | CD | 106.5° | 105.1° |
| CG | CB | HB2 | 109.6° | 110.3° |
| CG | CB | HB3 | 109.7° | 110.3° |
| CB | CG | HG2 | 110.2° | 110.3° |
| CB | CG | HG3 | 110.2° | 110.4° |
| CG | CD | N | 104.9° | 104.5° |
| CD | CG | HG2 | 110.2° | 110.3° |
| CD | CG | HG3 | 110.2° | 110.3° |
| CG | CD | HD2 | 110.6° | 110.4° |
| CG | CD | HD3 | 110.6° | 110.4° |
| N | CD | HD2 | 110.6° | 110.5° |
| N | CD | HD3 | 110.6° | 110.4° |
| CD | N | H | 108.6° | 111.0° |
| H3 | C3 | H3A | 109.4° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 110.4° |
| HG2 | CG | HG3 | 109.5° | 110.3° |
| HD2 | CD | HD3 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C3 | CA | 121.9° | 120.0° |
| O | C | C3 | H1 | 115.4° | 120.0° |
| O | C | CA | H1 | 120.1° | 120.0° |
| O | C | C3 | O4 | 167.9° | 65.0° |
| O | C | CA | CB | 47.7° | 60.0° |
| O | C | CA | N | 65.2° | 55.2° |
| O | C | C3 | H3 | 47.5° | 55.0° |
| O | C | C3 | H3A | 71.7° | 175.0° |
| O | C | CA | HA | 170.9° | 177.6° |
| C3 | C | CA | H1 | 122.7° | 120.0° |
| C | C3 | O4 | H3 | 120.4° | 120.0° |
| C | C3 | O4 | H3A | 120.4° | 120.0° |
| C3 | C | CA | CB | 164.9° | 180.0° |
| C3 | C | CA | N | 52.0° | 64.8° |
| C3 | C | O | HO | 180.0° | 60.1° |
| C | C3 | H3 | H3A | 118.8° | 120.0° |
| C | C3 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C | CA | HA | 71.9° | 57.7° |
| CA | C | C3 | O4 | 70.2° | 175.0° |
| C | CA | CB | N | 117.8° | 118.8° |
| C | CA | CB | HA | 123.1° | 122.3° |
| C | CA | N | HA | 123.2° | 122.4° |
| C | CA | CB | CG | 98.8° | 142.7° |
| C | CA | N | CD | 96.0° | 158.3° |
| CA | C | O | HO | 53.5° | 60.0° |
| CA | C | C3 | H3 | 169.4° | 65.0° |
| CA | C | C3 | H3A | 50.2° | 55.0° |
| C | CA | CB | HB2 | 21.0° | 23.8° |
| C | CA | CB | HB3 | 141.3° | 98.5° |
| C | CA | N | H | 143.5° | 82.1° |
| O4 | C3 | C | H1 | 52.4° | 55.0° |
| O4 | C3 | H3 | H3A | 118.8° | 120.0° |
| CB | CA | N | HA | 118.4° | 118.9° |
| CA | CB | CG | HB2 | 119.9° | 118.9° |
| CA | CB | CG | HB3 | 119.9° | 118.9° |
| CA | CB | CG | CD | 9.7° | 0.0° |
| CB | CA | N | CD | 22.4° | 39.5° |
| CB | CA | C | H1 | 72.4° | 60.0° |
| CA | CB | HB2 | HB3 | 120.3° | 122.2° |
| CA | CB | CG | HG2 | 109.9° | 118.9° |
| CA | CB | CG | HG3 | 129.2° | 118.9° |
| CB | CA | N | H | 98.1° | 159.1° |
| N | CA | CB | CG | 19.0° | 23.9° |
| CA | N | CD | CG | 16.9° | 39.5° |
| CA | N | CD | H | 120.5° | 119.6° |
| N | CA | C | H1 | 174.7° | 175.2° |
| N | CA | CB | HB2 | 138.8° | 95.0° |
| N | CA | CB | HB3 | 100.9° | 142.7° |
| CA | N | CD | HD2 | 102.3° | 158.3° |
| CA | N | CD | HD3 | 136.2° | 79.3° |
| CB | CG | CD | HG2 | 119.5° | 118.9° |
| CB | CG | CD | HG3 | 119.5° | 119.0° |
| CB | CG | CD | N | 3.7° | 23.8° |
| CG | CB | CA | HA | 138.0° | 95.0° |
| CG | CB | HB2 | HB3 | 120.3° | 122.1° |
| CB | CG | HG2 | HG3 | 121.4° | 122.2° |
| CB | CG | CD | HD2 | 115.6° | 142.6° |
| CB | CG | CD | HD3 | 123.0° | 94.9° |
| CG | CD | N | HD2 | 119.3° | 118.8° |
| CG | CD | N | HD3 | 119.3° | 118.8° |
| CD | CG | CB | HB2 | 129.6° | 118.9° |
| CD | CG | CB | HB3 | 110.2° | 118.9° |
| CD | CG | HG2 | HG3 | 121.4° | 122.2° |
| CG | CD | HD2 | HD3 | 122.1° | 122.4° |
| CG | CD | N | H | 103.6° | 159.1° |
| CD | N | CA | HA | 140.8° | 79.3° |
| N | CD | CG | HG2 | 123.3° | 95.1° |
| N | CD | CG | HG3 | 115.8° | 142.8° |
| N | CD | HD2 | HD3 | 122.1° | 122.4° |
| H1 | C | O | HO | 65.6° | 180.0° |
| H1 | C | C3 | H3 | 68.0° | 175.0° |
| H1 | C | C3 | H3A | 172.8° | 65.0° |
| H1 | C | CA | HA | 50.8° | 62.3° |
| H3 | C3 | O4 | HO4 | 59.6° | 60.0° |
| H3A | C3 | O4 | HO4 | 59.6° | 60.0° |
| HA | CA | CB | HB2 | 102.1° | 146.1° |
| HA | CA | CB | HB3 | 18.2° | 23.8° |
| HA | CA | N | H | 20.3° | 40.2° |
| HB2 | CB | CG | HG2 | 10.0° | 0.0° |
| HB2 | CB | CG | HG3 | 110.9° | 122.2° |
| HB3 | CB | CG | HG2 | 130.2° | 122.2° |
| HB3 | CB | CG | HG3 | 9.3° | 0.0° |
| HG2 | CG | CD | HD2 | 4.0° | 23.7° |
| HG2 | CG | CD | HD3 | 117.5° | 146.2° |
| HG3 | CG | CD | HD2 | 124.9° | 98.4° |
| HG3 | CG | CD | HD3 | 3.4° | 24.0° |
| HD2 | CD | N | H | 137.2° | 82.1° |
| HD3 | CD | N | H | 15.7° | 40.3° |
