VYA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.45Å | |
| CA3 | N3 | sing | 1.47Å | 1.51Å | |
| CA3 | C3 | sing | 1.51Å | 1.54Å | |
| O3 | C3 | doub | 1.21Å | 1.25Å | |
| O2 | C2 | doub | 1.22Å | 1.34Å | |
| N3 | C2 | sing | 1.35Å | 1.33Å | |
| N3 | C1 | sing | 1.37Å | 1.36Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | C20 | sing | 1.53Å | 1.57Å | |
| C2 | CA2 | sing | 1.47Å | 1.34Å | |
| C1 | N2 | doub | 1.30Å | 1.34Å | |
| C21 | C10 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| N2 | CA2 | sing | 1.37Å | 1.35Å | |
| CA2 | C8 | doub | 1.38Å | 1.35Å | |
| C8 | C7 | sing | 1.46Å | 1.45Å | |
| C6 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C12 | sing | 1.37Å | 1.42Å | Aromatic |
| C7 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.43Å | Aromatic |
| C11 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | O19 | sing | 1.36Å | 1.37Å | |
| C3 | OXT | sing | 1.34Å | 1.60Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| O19 | H21 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | CA1 | C1 | 103.2° | 109.5° |
| N1 | CA1 | C20 | 111.1° | 109.5° |
| N1 | CA1 | HA1 | 109.0° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.4° | 111.0° |
| N3 | CA3 | C3 | 109.2° | 109.5° |
| CA3 | N3 | C2 | 123.8° | 125.8° |
| CA3 | N3 | C1 | 125.0° | 125.8° |
| N3 | CA3 | HA31 | 109.5° | 109.5° |
| N3 | CA3 | HA32 | 109.5° | 109.5° |
| CA3 | C3 | O3 | 129.3° | 120.0° |
| CA3 | C3 | OXT | 117.2° | 120.0° |
| C3 | CA3 | HA31 | 109.5° | 109.5° |
| C3 | CA3 | HA32 | 109.5° | 109.5° |
| O3 | C3 | OXT | 113.5° | 119.9° |
| O2 | C2 | N3 | 120.7° | 127.4° |
| O2 | C2 | CA2 | 126.8° | 127.3° |
| C2 | N3 | C1 | 103.8° | 108.4° |
| N3 | C2 | CA2 | 112.1° | 105.3° |
| N3 | C1 | CA1 | 123.2° | 124.4° |
| N3 | C1 | N2 | 110.5° | 111.3° |
| C1 | CA1 | C20 | 117.5° | 109.5° |
| CA1 | C1 | N2 | 126.2° | 124.3° |
| C1 | CA1 | HA1 | 108.1° | 109.5° |
| CA1 | C20 | C21 | 116.2° | 109.5° |
| CA1 | C20 | H13 | 107.8° | 109.5° |
| CA1 | C20 | H14 | 107.8° | 109.5° |
| C20 | CA1 | HA1 | 107.5° | 109.4° |
| C2 | CA2 | N2 | 105.9° | 105.7° |
| C2 | CA2 | C8 | 122.3° | 127.2° |
| C1 | N2 | CA2 | 107.2° | 109.3° |
| C10 | C21 | C20 | 110.7° | 109.5° |
| C10 | C21 | C22 | 105.0° | 109.5° |
| C10 | C21 | H9 | 111.6° | 109.5° |
| C21 | C10 | H10 | 109.5° | 109.5° |
| C21 | C10 | H11 | 109.5° | 109.4° |
| C21 | C10 | H12 | 109.5° | 109.5° |
| C20 | C21 | C22 | 106.8° | 109.4° |
| C20 | C21 | H9 | 111.1° | 109.5° |
| C21 | C20 | H13 | 107.7° | 109.5° |
| C21 | C20 | H14 | 107.8° | 109.5° |
| C21 | C22 | H6 | 109.5° | 109.4° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C22 | C21 | H9 | 111.3° | 109.5° |
| N2 | CA2 | C8 | 131.7° | 127.1° |
| CA2 | C8 | C7 | 125.5° | 120.0° |
| CA2 | C8 | H5 | 117.2° | 120.0° |
| C8 | C7 | C6 | 115.5° | 120.1° |
| C8 | C7 | C5 | 126.3° | 120.2° |
| C7 | C8 | H5 | 117.3° | 120.0° |
| C7 | C6 | C12 | 120.1° | 119.9° |
| C6 | C7 | C5 | 118.3° | 119.7° |
| C7 | C6 | H4 | 119.9° | 120.1° |
| C6 | C12 | C11 | 120.5° | 120.1° |
| C6 | C12 | H1 | 119.7° | 120.0° |
| C12 | C6 | H4 | 119.9° | 120.1° |
| C7 | C5 | C4 | 121.7° | 119.9° |
| C7 | C5 | H3 | 119.1° | 120.1° |
| C12 | C11 | C4 | 120.9° | 120.3° |
| C12 | C11 | O19 | 119.5° | 119.9° |
| C11 | C12 | H1 | 119.8° | 119.9° |
| C5 | C4 | C11 | 118.4° | 120.1° |
| C5 | C4 | H22 | 120.8° | 120.0° |
| C4 | C5 | H3 | 119.2° | 120.1° |
| C4 | C11 | O19 | 119.6° | 119.9° |
| C11 | C4 | H22 | 120.8° | 119.9° |
| C11 | O19 | H21 | 109.5° | 114.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | CA1 | C1 | N3 | 77.8° | 144.7° |
| N1 | CA1 | C1 | C20 | 122.7° | 120.0° |
| N1 | CA1 | C1 | HA1 | 115.4° | 120.1° |
| N1 | CA1 | C20 | HA1 | 119.2° | 120.0° |
| N1 | CA1 | C1 | N2 | 105.4° | 35.0° |
| N1 | CA1 | C20 | C21 | 49.5° | 64.5° |
| N1 | CA1 | C20 | H13 | 71.5° | 175.5° |
| N1 | CA1 | C20 | H14 | 170.5° | 55.6° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N3 | CA3 | C3 | HA31 | 119.9° | 120.1° |
| N3 | CA3 | C3 | HA32 | 119.9° | 120.0° |
| N3 | CA3 | C3 | O3 | 157.8° | 0.0° |
| CA3 | N3 | C2 | O2 | 28.2° | 0.2° |
| CA3 | N3 | C2 | C1 | 150.9° | 179.8° |
| CA3 | N3 | C1 | CA1 | 26.4° | 0.2° |
| CA3 | N3 | C2 | CA2 | 158.9° | 180.0° |
| CA3 | N3 | C1 | N2 | 156.4° | 179.9° |
| N3 | CA3 | C3 | OXT | 26.1° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 120.1° | 120.0° |
| CA3 | C3 | O3 | OXT | 176.3° | 180.0° |
| C3 | CA3 | N3 | C2 | 79.8° | 90.0° |
| C3 | CA3 | N3 | C1 | 135.5° | 90.2° |
| C3 | CA3 | HA31 | HA32 | 120.2° | 120.0° |
| CA3 | C3 | OXT | HXT | 176.8° | 180.0° |
| O3 | C3 | CA3 | HA31 | 37.9° | 120.1° |
| O3 | C3 | CA3 | HA32 | 82.3° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| O2 | C2 | N3 | CA2 | 172.9° | 179.9° |
| O2 | C2 | N3 | C1 | 179.1° | 180.0° |
| O2 | C2 | CA2 | N2 | 179.5° | 179.9° |
| O2 | C2 | CA2 | C8 | 3.9° | 0.0° |
| C2 | N3 | C1 | CA1 | 176.8° | 180.0° |
| C2 | N3 | C1 | N2 | 6.0° | 0.3° |
| N3 | C2 | CA2 | N2 | 7.1° | 0.0° |
| N3 | C2 | CA2 | C8 | 176.3° | 179.8° |
| C2 | N3 | CA3 | HA31 | 40.1° | 149.9° |
| C2 | N3 | CA3 | HA32 | 160.3° | 29.9° |
| N3 | C1 | CA1 | N2 | 176.7° | 179.6° |
| N3 | C1 | CA1 | C20 | 159.4° | 95.3° |
| C1 | N3 | C2 | CA2 | 8.0° | 0.2° |
| N3 | C1 | N2 | CA2 | 1.9° | 0.3° |
| N3 | C1 | CA1 | HA1 | 37.6° | 24.6° |
| C1 | N3 | CA3 | HA31 | 104.6° | 29.8° |
| C1 | N3 | CA3 | HA32 | 15.5° | 149.8° |
| C1 | CA1 | C20 | HA1 | 122.2° | 120.0° |
| C1 | CA1 | C20 | C21 | 168.1° | 175.5° |
| CA1 | C1 | N2 | CA2 | 179.0° | 180.0° |
| C1 | CA1 | C20 | H13 | 47.1° | 55.5° |
| C1 | CA1 | C20 | H14 | 70.9° | 64.4° |
| C1 | CA1 | N1 | H | 180.0° | 65.7° |
| C1 | CA1 | N1 | H2 | 60.0° | 170.3° |
| C20 | CA1 | C1 | N2 | 17.3° | 85.0° |
| CA1 | C20 | C21 | C10 | 53.0° | 65.6° |
| CA1 | C20 | C21 | H13 | 121.0° | 120.0° |
| CA1 | C20 | C21 | H14 | 121.0° | 120.0° |
| CA1 | C20 | C21 | C22 | 166.8° | 174.4° |
| CA1 | C20 | C21 | H9 | 71.6° | 54.4° |
| CA1 | C20 | H13 | H14 | 116.9° | 120.0° |
| C20 | CA1 | N1 | H | 53.1° | 54.3° |
| C20 | CA1 | N1 | H2 | 173.1° | 69.7° |
| C2 | CA2 | N2 | C1 | 3.0° | 0.2° |
| C2 | CA2 | N2 | C8 | 176.1° | 179.8° |
| C2 | CA2 | C8 | C7 | 175.7° | 174.5° |
| C2 | CA2 | C8 | H5 | 4.4° | 5.5° |
| C1 | N2 | CA2 | C8 | 179.1° | 180.0° |
| N2 | C1 | CA1 | HA1 | 139.2° | 155.0° |
| C10 | C21 | C20 | C22 | 113.8° | 120.0° |
| C10 | C21 | C20 | H9 | 124.6° | 120.0° |
| C10 | C21 | C22 | H9 | 121.0° | 120.1° |
| C10 | C21 | C22 | H6 | 180.0° | 64.9° |
| C10 | C21 | C22 | H7 | 60.0° | 175.1° |
| C10 | C21 | C22 | H8 | 60.0° | 55.0° |
| C21 | C10 | H10 | H11 | 120.0° | 119.9° |
| C21 | C10 | H10 | H12 | 120.0° | 120.1° |
| C21 | C10 | H11 | H12 | 120.0° | 120.0° |
| C10 | C21 | C20 | H13 | 174.0° | 54.4° |
| C10 | C21 | C20 | H14 | 68.0° | 174.4° |
| C20 | C21 | C22 | H9 | 121.4° | 120.0° |
| C20 | C21 | C22 | H6 | 62.4° | 175.1° |
| C20 | C21 | C22 | H7 | 57.6° | 55.1° |
| C20 | C21 | C22 | H8 | 177.6° | 65.0° |
| C20 | C21 | C10 | H10 | 180.0° | 60.0° |
| C20 | C21 | C10 | H11 | 60.0° | 180.0° |
| C20 | C21 | C10 | H12 | 60.0° | 60.0° |
| C21 | C20 | H13 | H14 | 116.9° | 120.0° |
| C21 | C20 | CA1 | HA1 | 69.7° | 55.5° |
| C21 | C22 | H6 | H7 | 120.0° | 120.0° |
| C21 | C22 | H6 | H8 | 120.0° | 120.0° |
| C21 | C22 | H7 | H8 | 120.0° | 120.1° |
| C22 | C21 | C10 | H10 | 65.1° | 180.0° |
| C22 | C21 | C10 | H11 | 54.9° | 60.0° |
| C22 | C21 | C10 | H12 | 174.9° | 59.9° |
| C22 | C21 | C20 | H13 | 72.2° | 65.6° |
| C22 | C21 | C20 | H14 | 45.8° | 54.4° |
| N2 | CA2 | C8 | C7 | 0.1° | 5.3° |
| N2 | CA2 | C8 | H5 | 180.0° | 174.7° |
| CA2 | C8 | C7 | H5 | 180.0° | 180.0° |
| CA2 | C8 | C7 | C6 | 168.9° | 5.7° |
| CA2 | C8 | C7 | C5 | 11.9° | 174.2° |
| C8 | C7 | C6 | C5 | 179.3° | 179.9° |
| C8 | C7 | C6 | C12 | 178.9° | 180.0° |
| C8 | C7 | C5 | C4 | 179.4° | 179.8° |
| C8 | C7 | C5 | H3 | 0.6° | 0.4° |
| C8 | C7 | C6 | H4 | 1.1° | 0.0° |
| C7 | C6 | C12 | H4 | 180.0° | 179.9° |
| C7 | C6 | C12 | C11 | 1.7° | 0.1° |
| C6 | C7 | C5 | C4 | 0.2° | 0.2° |
| C7 | C6 | C12 | H1 | 178.3° | 179.7° |
| C6 | C7 | C5 | H3 | 179.8° | 179.7° |
| C6 | C7 | C8 | H5 | 11.2° | 174.3° |
| C12 | C6 | C7 | C5 | 0.4° | 0.1° |
| C6 | C12 | C11 | H1 | 180.0° | 179.8° |
| C6 | C12 | C11 | C4 | 2.3° | 0.2° |
| C6 | C12 | C11 | O19 | 178.9° | 179.7° |
| C7 | C5 | C4 | H3 | 180.0° | 179.9° |
| C7 | C5 | C4 | C11 | 0.3° | 0.4° |
| C7 | C5 | C4 | H22 | 179.7° | 180.0° |
| C5 | C7 | C6 | H4 | 179.6° | 180.0° |
| C5 | C7 | C8 | H5 | 168.1° | 5.8° |
| C12 | C11 | C4 | C5 | 1.6° | 0.4° |
| C12 | C11 | C4 | O19 | 178.8° | 179.9° |
| C12 | C11 | C4 | H22 | 178.4° | 180.0° |
| C11 | C12 | C6 | H4 | 178.3° | 180.0° |
| C12 | C11 | O19 | H21 | 180.0° | 90.0° |
| C5 | C4 | C11 | H22 | 180.0° | 179.5° |
| C5 | C4 | C11 | O19 | 179.6° | 179.5° |
| C4 | C11 | C12 | H1 | 177.7° | 180.0° |
| C11 | C4 | C5 | H3 | 179.6° | 179.4° |
| C4 | C11 | O19 | H21 | 1.2° | 90.1° |
| O19 | C11 | C12 | H1 | 1.1° | 0.1° |
| O19 | C11 | C4 | H22 | 0.4° | 0.1° |
| OXT | C3 | CA3 | HA31 | 146.0° | 60.0° |
| OXT | C3 | CA3 | HA32 | 93.9° | 60.0° |
| H1 | C12 | C6 | H4 | 1.7° | 0.2° |
| H22 | C4 | C5 | H3 | 0.4° | 0.1° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H6 | C22 | C21 | H9 | 59.0° | 55.1° |
| H7 | C22 | C21 | H9 | 179.1° | 64.9° |
| H8 | C22 | C21 | H9 | 61.0° | 175.1° |
| H9 | C21 | C10 | H10 | 55.7° | 59.9° |
| H9 | C21 | C10 | H11 | 175.7° | 60.0° |
| H9 | C21 | C10 | H12 | 64.3° | 180.0° |
| H9 | C21 | C20 | H13 | 49.4° | 174.4° |
| H9 | C21 | C20 | H14 | 167.4° | 65.6° |
| H10 | C10 | H11 | H12 | 120.0° | 120.1° |
| H13 | C20 | CA1 | HA1 | 169.3° | 64.5° |
| H14 | C20 | CA1 | HA1 | 51.3° | 175.6° |
| HA1 | CA1 | N1 | H | 65.2° | 174.2° |
| HA1 | CA1 | N1 | H2 | 54.8° | 50.3° |
