TYJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | CN | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB7 | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| CN | HCN1 | sing | 1.09Å | 1.10Å | |
| CN | HCN2 | sing | 1.09Å | 1.10Å | |
| CN | HCN3 | sing | 1.09Å | 1.10Å | |
| CB7 | CG5 | sing | 1.51Å | 1.49Å | |
| CB7 | HB14 | sing | 1.09Å | 1.10Å | |
| CB7 | HB26 | sing | 1.09Å | 1.10Å | |
| CG5 | CD12 | doub | 1.39Å | 1.41Å | Aromatic |
| CG5 | CD21 | sing | 1.38Å | 1.40Å | Aromatic |
| CD12 | CE11 | sing | 1.39Å | 1.39Å | Aromatic |
| CD21 | CE21 | doub | 1.38Å | 1.38Å | Aromatic |
| CD21 | HD23 | sing | 1.08Å | 1.08Å | |
| CE11 | CZ1 | doub | 1.39Å | 1.39Å | Aromatic |
| CE11 | HE12 | sing | 1.08Å | 1.08Å | |
| CE21 | CZ1 | sing | 1.39Å | 1.40Å | Aromatic |
| CE21 | OZ | sing | 1.36Å | 1.37Å | |
| CZ1 | OH1 | sing | 1.36Å | 1.41Å | |
| OZ | HOZ | sing | 0.97Å | 0.95Å | |
| OH1 | HO1 | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CD12 | OG1 | sing | 1.36Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CN | 114.5° | 111.0° |
| N | CA | C | 120.9° | 109.4° |
| N | CA | CB7 | 109.7° | 109.5° |
| N | CA | HA | 100.6° | 109.5° |
| CA | N | H | 107.8° | 111.0° |
| N | CN | HCN1 | 109.5° | 109.5° |
| N | CN | HCN2 | 109.5° | 109.4° |
| N | CN | HCN3 | 109.5° | 109.4° |
| CN | N | H | 107.8° | 111.1° |
| C | CA | CB7 | 108.7° | 109.5° |
| C | CA | HA | 101.7° | 109.5° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | OXT | 130.5° | 120.0° |
| CB7 | CA | HA | 115.0° | 109.5° |
| CA | CB7 | CG5 | 109.3° | 109.5° |
| CA | CB7 | HB14 | 109.5° | 109.5° |
| CA | CB7 | HB26 | 109.5° | 109.4° |
| O | C | OXT | 109.2° | 120.0° |
| HCN1 | CN | HCN2 | 109.5° | 109.5° |
| HCN1 | CN | HCN3 | 109.4° | 109.5° |
| HCN2 | CN | HCN3 | 109.5° | 109.4° |
| CG5 | CB7 | HB14 | 109.5° | 109.5° |
| CG5 | CB7 | HB26 | 109.5° | 109.5° |
| CB7 | CG5 | CD12 | 119.2° | 120.0° |
| CB7 | CG5 | CD21 | 118.3° | 120.0° |
| HB14 | CB7 | HB26 | 109.4° | 109.4° |
| CD12 | CG5 | CD21 | 122.5° | 120.1° |
| CG5 | CD12 | CE11 | 119.8° | 120.1° |
| CG5 | CD12 | OG1 | 120.8° | 120.0° |
| CG5 | CD21 | CE21 | 116.5° | 120.1° |
| CG5 | CD21 | HD23 | 121.7° | 119.9° |
| CD12 | CE11 | CZ1 | 118.1° | 120.0° |
| CD12 | CE11 | HE12 | 121.0° | 120.0° |
| CE11 | CD12 | OG1 | 119.4° | 120.0° |
| CE21 | CD21 | HD23 | 121.7° | 120.0° |
| CD21 | CE21 | CZ1 | 121.6° | 120.0° |
| CD21 | CE21 | OZ | 117.4° | 120.0° |
| CZ1 | CE11 | HE12 | 120.9° | 120.0° |
| CE11 | CZ1 | CE21 | 121.5° | 119.9° |
| CE11 | CZ1 | OH1 | 117.3° | 120.1° |
| CZ1 | CE21 | OZ | 121.0° | 120.0° |
| CE21 | CZ1 | OH1 | 121.1° | 120.0° |
| CE21 | OZ | HOZ | 109.5° | 114.0° |
| CZ1 | OH1 | HO1 | 109.5° | 114.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CD12 | OG1 | HG1 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | H | 120.0° | 124.0° |
| N | CA | C | CB7 | 128.2° | 120.0° |
| N | CA | C | HA | 110.1° | 119.9° |
| N | CA | CB7 | HA | 112.5° | 120.0° |
| N | CA | C | O | 144.0° | 26.4° |
| CA | N | CN | HCN1 | 180.0° | 55.5° |
| CA | N | CN | HCN2 | 60.0° | 64.6° |
| CA | N | CN | HCN3 | 60.0° | 175.5° |
| N | CA | CB7 | CG5 | 80.7° | 63.9° |
| N | CA | CB7 | HB14 | 39.3° | 56.2° |
| N | CA | CB7 | HB26 | 159.3° | 176.1° |
| N | CA | C | OXT | 36.0° | 153.6° |
| CN | N | CA | C | 54.3° | 84.1° |
| CN | N | CA | CB7 | 73.5° | 155.9° |
| CN | N | CA | HA | 165.0° | 35.9° |
| N | CN | HCN1 | HCN2 | 120.0° | 120.0° |
| N | CN | HCN1 | HCN3 | 120.0° | 120.0° |
| N | CN | HCN2 | HCN3 | 120.0° | 119.9° |
| C | CA | CB7 | HA | 113.3° | 120.0° |
| CA | C | O | OXT | 180.0° | 179.9° |
| C | CA | CB7 | CG5 | 145.1° | 176.1° |
| C | CA | CB7 | HB14 | 94.9° | 63.8° |
| C | CA | CB7 | HB26 | 25.1° | 56.1° |
| C | CA | N | H | 174.3° | 40.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CB7 | CA | C | O | 15.8° | 93.6° |
| CA | CB7 | CG5 | HB14 | 120.0° | 120.0° |
| CA | CB7 | CG5 | HB26 | 120.0° | 120.0° |
| CA | CB7 | HB14 | HB26 | 120.1° | 119.9° |
| CA | CB7 | CG5 | CD12 | 73.4° | 87.1° |
| CA | CB7 | CG5 | CD21 | 104.3° | 93.2° |
| CB7 | CA | N | H | 46.5° | 80.1° |
| CB7 | CA | C | OXT | 164.2° | 86.3° |
| HA | CA | C | O | 105.9° | 146.4° |
| HA | CA | CB7 | CG5 | 31.8° | 56.1° |
| HA | CA | CB7 | HB14 | 151.8° | 176.2° |
| HA | CA | CB7 | HB26 | 88.2° | 63.9° |
| HA | CA | N | H | 75.0° | 159.9° |
| HA | CA | C | OXT | 74.1° | 33.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HCN1 | CN | HCN2 | HCN3 | 120.0° | 120.0° |
| HCN1 | CN | N | H | 60.0° | 179.5° |
| HCN2 | CN | N | H | 180.0° | 59.4° |
| HCN3 | CN | N | H | 60.0° | 60.5° |
| CG5 | CB7 | HB14 | HB26 | 120.1° | 120.0° |
| CB7 | CG5 | CD12 | CD21 | 177.6° | 179.7° |
| CB7 | CG5 | CD12 | CE11 | 179.0° | 180.0° |
| CB7 | CG5 | CD21 | CE21 | 178.6° | 180.0° |
| CB7 | CG5 | CD21 | HD23 | 1.4° | 0.0° |
| CB7 | CG5 | CD12 | OG1 | 1.0° | 0.1° |
| HB14 | CB7 | CG5 | CD12 | 166.6° | 32.9° |
| HB14 | CB7 | CG5 | CD21 | 15.7° | 146.8° |
| HB26 | CB7 | CG5 | CD12 | 46.5° | 152.9° |
| HB26 | CB7 | CG5 | CD21 | 135.7° | 26.8° |
| CG5 | CD12 | CE11 | OG1 | 180.0° | 179.9° |
| CD12 | CG5 | CD21 | CE21 | 1.0° | 0.3° |
| CD12 | CG5 | CD21 | HD23 | 179.0° | 179.7° |
| CG5 | CD12 | CE11 | CZ1 | 1.9° | 0.0° |
| CG5 | CD12 | CE11 | HE12 | 178.1° | 179.9° |
| CG5 | CD12 | OG1 | HG1 | 180.0° | 90.0° |
| CD21 | CG5 | CD12 | CE11 | 1.4° | 0.4° |
| CG5 | CD21 | CE21 | HD23 | 180.0° | 180.0° |
| CG5 | CD21 | CE21 | CZ1 | 1.1° | 0.1° |
| CG5 | CD21 | CE21 | OZ | 180.0° | 180.0° |
| CD21 | CG5 | CD12 | OG1 | 178.6° | 179.8° |
| CD12 | CE11 | CZ1 | HE12 | 180.0° | 179.9° |
| CD12 | CE11 | CZ1 | CE21 | 2.0° | 0.3° |
| CD12 | CE11 | CZ1 | OH1 | 176.4° | 180.0° |
| CE11 | CD12 | OG1 | HG1 | 0.0° | 90.1° |
| CD21 | CE21 | CZ1 | CE11 | 1.7° | 0.4° |
| CD21 | CE21 | CZ1 | OZ | 178.9° | 179.9° |
| CD21 | CE21 | CZ1 | OH1 | 176.7° | 179.9° |
| CD21 | CE21 | OZ | HOZ | 180.0° | 90.0° |
| HD23 | CD21 | CE21 | CZ1 | 178.9° | 180.0° |
| HD23 | CD21 | CE21 | OZ | 0.0° | 0.0° |
| CE11 | CZ1 | CE21 | OH1 | 178.4° | 179.7° |
| CE11 | CZ1 | CE21 | OZ | 179.5° | 179.7° |
| CE11 | CZ1 | OH1 | HO1 | 180.0° | 90.0° |
| CZ1 | CE11 | CD12 | OG1 | 178.1° | 179.9° |
| HE12 | CE11 | CZ1 | CE21 | 178.0° | 179.8° |
| HE12 | CE11 | CZ1 | OH1 | 3.6° | 0.0° |
| HE12 | CE11 | CD12 | OG1 | 1.9° | 0.0° |
| CZ1 | CE21 | OZ | HOZ | 1.1° | 89.9° |
| CE21 | CZ1 | OH1 | HO1 | 1.5° | 89.7° |
| OZ | CE21 | CZ1 | OH1 | 2.1° | 0.0° |
