BXT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | OG | sing | 1.45Å | 1.38Å | |
| OG | C1 | sing | 1.35Å | 1.39Å | |
| O2 | C1 | doub | 1.22Å | 1.20Å | |
| C1 | N3 | sing | 1.35Å | 1.44Å | |
| N3 | C5 | sing | 1.47Å | 1.45Å | |
| N3 | C4 | sing | 1.46Å | 1.44Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| CA | H12 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.2° | 120.1° |
| O | C | OXT | 122.7° | 120.0° |
| N | CA | C | 109.9° | 109.4° |
| N | CA | CB | 109.9° | 109.4° |
| CA | N | H9 | 109.5° | 110.9° |
| CA | N | H10 | 109.5° | 111.0° |
| N | CA | H12 | 108.9° | 109.5° |
| C | CA | CB | 112.0° | 109.5° |
| C | CA | H12 | 108.0° | 109.5° |
| CA | C | OXT | 119.1° | 119.9° |
| CA | CB | OG | 102.6° | 109.4° |
| CB | CA | H12 | 108.0° | 109.5° |
| CA | CB | H14 | 111.2° | 109.5° |
| CA | CB | H15 | 111.2° | 109.4° |
| CB | OG | C1 | 115.5° | 116.9° |
| OG | CB | H14 | 111.2° | 109.5° |
| OG | CB | H15 | 111.2° | 109.5° |
| OG | C1 | O2 | 123.4° | 120.0° |
| OG | C1 | N3 | 113.8° | 120.0° |
| O2 | C1 | N3 | 122.7° | 119.9° |
| C1 | N3 | C5 | 112.5° | 119.9° |
| C1 | N3 | C4 | 115.5° | 120.1° |
| C5 | N3 | C4 | 114.1° | 120.0° |
| N3 | C5 | H6 | 109.5° | 109.4° |
| N3 | C5 | H7 | 109.5° | 109.4° |
| N3 | C5 | H8 | 109.5° | 109.5° |
| N3 | C4 | C2 | 99.5° | 109.5° |
| N3 | C4 | H4 | 111.9° | 109.4° |
| N3 | C4 | H5 | 111.9° | 109.5° |
| C4 | C2 | H1 | 109.5° | 109.5° |
| C4 | C2 | H2 | 109.5° | 109.5° |
| C4 | C2 | H3 | 109.5° | 109.5° |
| C2 | C4 | H4 | 111.9° | 109.4° |
| C2 | C4 | H5 | 111.9° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H6 | C5 | H8 | 109.4° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | N | H10 | 109.5° | 111.1° |
| H14 | CB | H15 | 109.5° | 109.5° |
| C | OXT | H11 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | N | 57.1° | 20.0° |
| O | C | CA | OXT | 179.5° | 180.0° |
| O | C | CA | CB | 179.5° | 99.9° |
| O | C | CA | H12 | 61.7° | 140.0° |
| O | C | OXT | H11 | 0.0° | 0.0° |
| N | CA | C | CB | 122.5° | 119.9° |
| N | CA | C | H12 | 118.7° | 120.0° |
| N | CA | CB | H12 | 118.7° | 120.0° |
| N | CA | CB | OG | 151.6° | 65.1° |
| CA | N | H9 | H10 | 120.0° | 124.0° |
| N | CA | CB | H14 | 32.7° | 55.0° |
| N | CA | CB | H15 | 89.5° | 175.0° |
| N | CA | C | OXT | 122.4° | 160.0° |
| C | CA | CB | H12 | 118.8° | 120.1° |
| C | CA | CB | OG | 85.9° | 175.0° |
| C | CA | N | H9 | 180.0° | 64.0° |
| C | CA | N | H10 | 60.0° | 60.0° |
| C | CA | CB | H14 | 155.2° | 64.9° |
| C | CA | CB | H15 | 33.0° | 55.1° |
| CA | C | OXT | H11 | 179.5° | 180.0° |
| CA | CB | OG | H14 | 118.9° | 120.0° |
| CA | CB | OG | H15 | 118.9° | 119.9° |
| CA | CB | OG | C1 | 134.5° | 180.0° |
| CB | CA | N | H9 | 56.3° | 176.0° |
| CB | CA | N | H10 | 176.3° | 60.0° |
| CA | CB | H14 | H15 | 123.2° | 119.9° |
| CB | CA | C | OXT | 0.0° | 80.1° |
| CB | OG | C1 | O2 | 29.0° | 0.1° |
| CB | OG | C1 | N3 | 151.1° | 180.0° |
| OG | CB | CA | H12 | 32.9° | 55.0° |
| OG | CB | H14 | H15 | 123.2° | 120.1° |
| OG | C1 | O2 | N3 | 179.9° | 179.9° |
| OG | C1 | N3 | C5 | 24.5° | 0.0° |
| OG | C1 | N3 | C4 | 158.0° | 180.0° |
| C1 | OG | CB | H14 | 106.6° | 60.0° |
| C1 | OG | CB | H15 | 15.6° | 60.1° |
| O2 | C1 | N3 | C5 | 155.4° | 180.0° |
| O2 | C1 | N3 | C4 | 22.0° | 0.1° |
| C1 | N3 | C5 | C4 | 134.1° | 180.0° |
| C1 | N3 | C4 | C2 | 73.8° | 90.0° |
| C1 | N3 | C4 | H4 | 167.9° | 29.9° |
| C1 | N3 | C4 | H5 | 44.6° | 150.0° |
| C1 | N3 | C5 | H6 | 180.0° | 90.0° |
| C1 | N3 | C5 | H7 | 60.0° | 150.0° |
| C1 | N3 | C5 | H8 | 60.0° | 30.0° |
| C5 | N3 | C4 | C2 | 58.9° | 90.0° |
| C5 | N3 | C4 | H4 | 59.4° | 150.1° |
| C5 | N3 | C4 | H5 | 177.3° | 30.0° |
| N3 | C5 | H6 | H7 | 120.0° | 119.9° |
| N3 | C5 | H6 | H8 | 120.0° | 120.0° |
| N3 | C5 | H7 | H8 | 120.0° | 120.0° |
| N3 | C4 | C2 | H4 | 118.3° | 119.9° |
| N3 | C4 | C2 | H5 | 118.3° | 120.0° |
| N3 | C4 | C2 | H1 | 180.0° | 180.0° |
| N3 | C4 | C2 | H2 | 60.0° | 60.0° |
| N3 | C4 | C2 | H3 | 60.0° | 60.1° |
| N3 | C4 | H4 | H5 | 124.6° | 120.1° |
| C4 | N3 | C5 | H6 | 45.9° | 89.9° |
| C4 | N3 | C5 | H7 | 74.1° | 30.0° |
| C4 | N3 | C5 | H8 | 165.9° | 150.0° |
| C4 | C2 | H1 | H2 | 120.0° | 120.0° |
| C4 | C2 | H1 | H3 | 120.0° | 120.0° |
| C4 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C4 | H4 | H5 | 124.7° | 120.0° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C4 | H4 | 61.7° | 60.0° |
| H1 | C2 | C4 | H5 | 61.7° | 60.0° |
| H2 | C2 | C4 | H4 | 178.3° | 59.9° |
| H2 | C2 | C4 | H5 | 58.3° | 180.0° |
| H3 | C2 | C4 | H4 | 58.3° | 180.0° |
| H3 | C2 | C4 | H5 | 178.4° | 60.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| H9 | N | CA | H12 | 61.9° | 56.0° |
| H10 | N | CA | H12 | 58.2° | 180.0° |
| H12 | CA | CB | H14 | 86.0° | 175.0° |
| H12 | CA | CB | H15 | 151.8° | 65.0° |
| H12 | CA | C | OXT | 118.8° | 40.0° |
