HJT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| OXT | C | doub | 1.21Å | 1.26Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | S | sing | 1.81Å | 1.61Å | |
| S | O1S | doub | 1.42Å | 1.66Å | |
| S | O3S | doub | 1.42Å | 1.65Å | |
| S | O2S | sing | 1.52Å | 1.67Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| O2S | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 110.5° | 109.5° |
| N | CA | CB | 108.4° | 109.5° |
| N | CA | H1 | 109.3° | 109.5° |
| CA | N | H4 | 109.5° | 111.0° |
| CA | N | H5 | 109.5° | 111.0° |
| C | CA | CB | 112.0° | 109.5° |
| CA | C | OXT | 121.1° | 120.0° |
| CA | C | O | 119.9° | 120.0° |
| C | CA | H1 | 108.2° | 109.5° |
| CA | CB | CG | 114.3° | 109.5° |
| CB | CA | H1 | 108.3° | 109.5° |
| CA | CB | H2 | 108.3° | 109.5° |
| CA | CB | H3 | 108.3° | 109.5° |
| OXT | C | O | 119.0° | 120.0° |
| C | O | H7 | 109.5° | 117.0° |
| CB | CG | S | 113.7° | 109.4° |
| CG | CB | H2 | 108.3° | 109.5° |
| CG | CB | H3 | 108.3° | 109.5° |
| CB | CG | H8 | 108.4° | 109.5° |
| CB | CG | H9 | 108.4° | 109.4° |
| CG | S | O1S | 109.8° | 110.5° |
| CG | S | O3S | 113.1° | 110.6° |
| CG | S | O2S | 106.1° | 104.4° |
| S | CG | H8 | 108.4° | 109.5° |
| S | CG | H9 | 108.4° | 109.4° |
| O1S | S | O3S | 107.1° | 121.0° |
| O1S | S | O2S | 116.5° | 104.3° |
| O3S | S | O2S | 104.4° | 104.2° |
| S | O2S | H6 | 109.5° | 114.0° |
| H2 | CB | H3 | 109.5° | 109.4° |
| H4 | N | H5 | 109.4° | 111.0° |
| H8 | CG | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 121.0° | 120.0° |
| N | CA | C | H1 | 119.7° | 120.0° |
| N | CA | CB | H1 | 118.5° | 120.0° |
| N | CA | C | OXT | 137.0° | 20.0° |
| N | CA | C | O | 42.6° | 160.0° |
| N | CA | CB | CG | 99.9° | 65.0° |
| N | CA | CB | H2 | 20.9° | 55.0° |
| N | CA | CB | H3 | 139.4° | 175.0° |
| CA | N | H4 | H5 | 120.0° | 123.9° |
| C | CA | CB | H1 | 119.3° | 120.0° |
| CA | C | OXT | O | 179.6° | 180.0° |
| C | CA | CB | CG | 137.9° | 175.0° |
| C | CA | CB | H2 | 101.3° | 64.9° |
| C | CA | CB | H3 | 17.2° | 55.0° |
| C | CA | N | H4 | 180.0° | 60.0° |
| C | CA | N | H5 | 60.0° | 176.1° |
| CA | C | O | H7 | 179.6° | 180.0° |
| CB | CA | C | OXT | 102.1° | 100.0° |
| CB | CA | C | O | 78.4° | 80.0° |
| CA | CB | CG | H2 | 120.7° | 120.0° |
| CA | CB | CG | H3 | 120.7° | 120.0° |
| CA | CB | CG | S | 168.2° | 180.0° |
| CA | CB | H2 | H3 | 117.8° | 120.0° |
| CB | CA | N | H4 | 56.9° | 60.0° |
| CB | CA | N | H5 | 176.9° | 63.9° |
| CA | CB | CG | H8 | 47.6° | 60.0° |
| CA | CB | CG | H9 | 71.1° | 60.1° |
| OXT | C | CA | H1 | 17.2° | 140.0° |
| OXT | C | O | H7 | 0.0° | 0.0° |
| O | C | CA | H1 | 162.3° | 40.0° |
| CB | CG | S | H8 | 120.6° | 120.0° |
| CB | CG | S | H9 | 120.6° | 119.9° |
| CB | CG | S | O1S | 149.9° | 68.4° |
| CB | CG | S | O3S | 90.6° | 68.4° |
| CB | CG | S | O2S | 23.2° | 180.0° |
| CG | CB | CA | H1 | 18.7° | 55.0° |
| CG | CB | H2 | H3 | 117.8° | 120.0° |
| CB | CG | H8 | H9 | 118.1° | 120.0° |
| CG | S | O1S | O3S | 123.1° | 131.6° |
| CG | S | O1S | O2S | 120.5° | 111.7° |
| CG | S | O3S | O2S | 114.8° | 111.7° |
| S | CG | CB | H2 | 71.0° | 60.0° |
| S | CG | CB | H3 | 47.5° | 60.0° |
| S | CG | H8 | H9 | 118.0° | 120.0° |
| CG | S | O2S | H6 | 119.7° | 179.9° |
| O1S | S | O3S | O2S | 124.1° | 116.7° |
| O1S | S | CG | H8 | 29.2° | 51.6° |
| O1S | S | CG | H9 | 89.5° | 171.6° |
| O1S | S | O2S | H6 | 117.9° | 63.9° |
| O3S | S | CG | H8 | 148.8° | 171.6° |
| O3S | S | CG | H9 | 30.1° | 51.6° |
| O3S | S | O2S | H6 | 0.0° | 64.0° |
| O2S | S | CG | H8 | 97.4° | 60.0° |
| O2S | S | CG | H9 | 143.9° | 60.0° |
| H1 | CA | CB | H2 | 139.4° | 175.1° |
| H1 | CA | CB | H3 | 102.0° | 65.0° |
| H1 | CA | N | H4 | 60.9° | 180.0° |
| H1 | CA | N | H5 | 59.1° | 56.1° |
| H2 | CB | CG | H8 | 168.3° | 180.0° |
| H2 | CB | CG | H9 | 49.6° | 60.0° |
| H3 | CB | CG | H8 | 73.1° | 60.0° |
| H3 | CB | CG | H9 | 168.2° | 180.0° |
