BWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NH1 | CZ | doub | 1.30Å | 1.34Å | |
| CZ | NH2 | sing | 1.37Å | 1.34Å | |
| CZ | NE | sing | 1.38Å | 1.34Å | |
| NH2 | C02 | sing | 1.46Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| CD | NE | sing | 1.46Å | 1.47Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C03 | sing | 1.53Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| CD | H11 | sing | 1.09Å | 1.10Å | |
| NE | H12 | sing | 0.97Å | 1.00Å | |
| NH1 | H13 | sing | 0.97Å | 1.00Å | |
| NH2 | H14 | sing | 0.97Å | 1.00Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 45.46Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NH1 | CZ | NH2 | 119.7° | 120.0° |
| NH1 | CZ | NE | 119.6° | 119.9° |
| CZ | NH1 | H13 | 112.0° | 120.1° |
| NH2 | CZ | NE | 120.7° | 120.0° |
| CZ | NH2 | C02 | 125.1° | 120.0° |
| CZ | NH2 | H14 | 117.4° | 120.0° |
| CZ | NE | CD | 122.0° | 120.0° |
| CZ | NE | H12 | 119.0° | 120.0° |
| NH2 | C02 | C01 | 108.0° | 109.4° |
| C02 | NH2 | H14 | 117.5° | 120.0° |
| NH2 | C02 | H17 | 109.8° | 109.5° |
| NH2 | C02 | H18 | 109.8° | 109.5° |
| O | C | CA | 120.9° | 120.1° |
| O | C | OXT | 19.7° | 119.9° |
| NE | CD | CG | 112.2° | 109.5° |
| NE | CD | H10 | 108.8° | 109.5° |
| NE | CD | H11 | 108.8° | 109.5° |
| CD | NE | H12 | 119.0° | 120.0° |
| CD | CG | CB | 106.2° | 109.5° |
| CD | CG | H8 | 110.3° | 109.5° |
| CD | CG | H9 | 110.3° | 109.5° |
| CG | CD | H10 | 108.8° | 109.4° |
| CG | CD | H11 | 108.8° | 109.4° |
| CG | CB | CA | 109.6° | 109.5° |
| CG | CB | H6 | 109.5° | 109.5° |
| CG | CB | H7 | 109.4° | 109.4° |
| CB | CG | H8 | 110.3° | 109.5° |
| CB | CG | H9 | 110.3° | 109.4° |
| CB | CA | C | 109.7° | 109.5° |
| CB | CA | N | 113.5° | 109.4° |
| CB | CA | HA | 107.6° | 109.5° |
| CA | CB | H6 | 109.4° | 109.5° |
| CA | CB | H7 | 109.4° | 109.5° |
| C02 | C01 | C03 | 111.0° | 109.4° |
| C02 | C01 | H15 | 109.1° | 109.4° |
| C02 | C01 | H16 | 109.1° | 109.5° |
| C01 | C02 | H17 | 109.8° | 109.4° |
| C01 | C02 | H18 | 109.8° | 109.5° |
| C01 | C03 | C04 | 108.7° | 109.4° |
| C03 | C01 | H15 | 109.1° | 109.5° |
| C03 | C01 | H16 | 109.1° | 109.5° |
| C01 | C03 | H19 | 109.7° | 109.5° |
| C01 | C03 | H20 | 109.6° | 109.5° |
| C | CA | N | 110.0° | 109.5° |
| C | CA | HA | 107.7° | 109.5° |
| CA | C | OXT | 139.6° | 120.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.2° | 109.5° |
| C04 | C03 | H19 | 109.7° | 109.4° |
| C04 | C03 | H20 | 109.7° | 109.5° |
| C03 | C04 | H21 | 109.5° | 109.4° |
| C03 | C04 | H22 | 109.4° | 109.4° |
| C03 | C04 | H23 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.4° |
| H8 | CG | H9 | 109.5° | 109.4° |
| H10 | CD | H11 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.4° | 109.5° |
| H17 | C02 | H18 | 109.5° | 109.5° |
| H19 | C03 | H20 | 109.4° | 109.5° |
| H21 | C04 | H22 | 109.5° | 109.5° |
| H21 | C04 | H23 | 109.5° | 109.5° |
| H22 | C04 | H23 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH1 | CZ | NH2 | NE | 179.0° | 179.9° |
| NH1 | CZ | NH2 | C02 | 179.4° | 0.0° |
| NH1 | CZ | NE | CD | 1.2° | 0.0° |
| NH1 | CZ | NE | H12 | 178.7° | 180.0° |
| NH1 | CZ | NH2 | H14 | 0.6° | 180.0° |
| CZ | NH2 | C02 | H14 | 180.0° | 180.0° |
| NH2 | CZ | NE | CD | 179.8° | 180.0° |
| CZ | NH2 | C02 | C01 | 179.8° | 180.0° |
| NH2 | CZ | NE | H12 | 0.3° | 0.0° |
| NH2 | CZ | NH1 | H13 | 179.1° | 180.0° |
| CZ | NH2 | C02 | H17 | 60.4° | 60.0° |
| CZ | NH2 | C02 | H18 | 60.1° | 60.0° |
| NE | CZ | NH2 | C02 | 0.3° | 180.0° |
| CZ | NE | CD | H12 | 180.0° | 180.0° |
| CZ | NE | CD | CG | 159.8° | 180.0° |
| CZ | NE | CD | H10 | 39.4° | 60.0° |
| CZ | NE | CD | H11 | 79.8° | 60.1° |
| NE | CZ | NH1 | H13 | 0.0° | 0.0° |
| NE | CZ | NH2 | H14 | 179.7° | 0.0° |
| NH2 | C02 | C01 | H17 | 119.8° | 120.0° |
| NH2 | C02 | C01 | H18 | 119.8° | 120.0° |
| NH2 | C02 | C01 | C03 | 179.4° | 180.0° |
| NH2 | C02 | C01 | H15 | 59.2° | 60.0° |
| NH2 | C02 | C01 | H16 | 60.3° | 60.0° |
| NH2 | C02 | H17 | H18 | 120.7° | 120.0° |
| O | C | CA | CB | 19.3° | 100.0° |
| O | C | CA | OXT | 8.1° | 179.9° |
| O | C | CA | N | 144.8° | 19.9° |
| O | C | CA | HA | 97.5° | 139.9° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| NE | CD | CG | H10 | 120.4° | 120.0° |
| NE | CD | CG | H11 | 120.4° | 120.0° |
| NE | CD | CG | CB | 179.6° | 180.0° |
| NE | CD | CG | H8 | 60.9° | 60.0° |
| NE | CD | CG | H9 | 60.1° | 60.0° |
| NE | CD | H10 | H11 | 118.8° | 120.1° |
| CD | CG | CB | H8 | 119.5° | 120.0° |
| CD | CG | CB | H9 | 119.5° | 120.1° |
| CD | CG | CB | CA | 178.7° | 180.0° |
| CD | CG | CB | H6 | 58.6° | 60.0° |
| CD | CG | CB | H7 | 61.4° | 60.0° |
| CD | CG | H8 | H9 | 121.5° | 120.0° |
| CG | CD | H10 | H11 | 118.8° | 120.0° |
| CG | CD | NE | H12 | 20.2° | 0.0° |
| CG | CB | CA | H6 | 120.0° | 120.1° |
| CG | CB | CA | H7 | 120.0° | 119.9° |
| CG | CB | CA | C | 179.1° | 175.0° |
| CG | CB | CA | N | 57.4° | 65.1° |
| CG | CB | CA | HA | 62.3° | 54.9° |
| CG | CB | H6 | H7 | 120.0° | 119.9° |
| CB | CG | H8 | H9 | 121.5° | 119.9° |
| CB | CG | CD | H10 | 59.2° | 60.0° |
| CB | CG | CD | H11 | 60.0° | 60.0° |
| CB | CA | C | N | 125.5° | 119.9° |
| CB | CA | C | HA | 116.8° | 120.1° |
| CB | CA | N | HA | 119.3° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H6 | H7 | 119.9° | 120.0° |
| CA | CB | CG | H8 | 61.9° | 59.9° |
| CA | CB | CG | H9 | 59.2° | 60.0° |
| CB | CA | C | OXT | 11.2° | 80.1° |
| C02 | C01 | C03 | H15 | 120.2° | 119.9° |
| C02 | C01 | C03 | H16 | 120.2° | 120.0° |
| C02 | C01 | C03 | C04 | 179.7° | 180.0° |
| C01 | C02 | NH2 | H14 | 0.2° | 0.0° |
| C02 | C01 | H15 | H16 | 119.3° | 120.0° |
| C01 | C02 | H17 | H18 | 120.7° | 120.0° |
| C02 | C01 | C03 | H19 | 59.8° | 60.1° |
| C02 | C01 | C03 | H20 | 60.4° | 60.0° |
| C01 | C03 | C04 | H19 | 119.9° | 120.0° |
| C01 | C03 | C04 | H20 | 119.9° | 120.0° |
| C03 | C01 | H15 | H16 | 119.3° | 120.0° |
| C03 | C01 | C02 | H17 | 60.8° | 60.0° |
| C03 | C01 | C02 | H18 | 59.7° | 60.0° |
| C01 | C03 | H19 | H20 | 120.3° | 120.0° |
| C01 | C03 | C04 | H21 | 180.0° | 180.0° |
| C01 | C03 | C04 | H22 | 60.0° | 60.0° |
| C01 | C03 | C04 | H23 | 60.0° | 60.0° |
| C | CA | N | HA | 117.4° | 120.0° |
| C | CA | N | H | 56.7° | 64.0° |
| C | CA | N | H2 | 63.3° | 59.9° |
| C | CA | CB | H6 | 59.1° | 64.9° |
| C | CA | CB | H7 | 60.9° | 55.1° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 177.4° | 55.0° |
| N | CA | CB | H7 | 62.6° | 175.0° |
| N | CA | C | OXT | 136.7° | 160.0° |
| C04 | C03 | C01 | H15 | 60.1° | 60.1° |
| C04 | C03 | C01 | H16 | 59.4° | 60.0° |
| C04 | C03 | H19 | H20 | 120.4° | 120.0° |
| C03 | C04 | H21 | H22 | 120.0° | 119.9° |
| C03 | C04 | H21 | H23 | 120.0° | 120.0° |
| C03 | C04 | H22 | H23 | 120.0° | 120.0° |
| H | N | CA | HA | 60.7° | 56.0° |
| H2 | N | CA | HA | 179.3° | 180.0° |
| HA | CA | CB | H6 | 57.8° | 175.0° |
| HA | CA | CB | H7 | 177.8° | 65.0° |
| HA | CA | C | OXT | 105.6° | 40.0° |
| H6 | CB | CG | H8 | 178.1° | 180.0° |
| H6 | CB | CG | H9 | 60.8° | 60.1° |
| H7 | CB | CG | H8 | 58.1° | 60.0° |
| H7 | CB | CG | H9 | 179.2° | 180.0° |
| H8 | CG | CD | H10 | 178.7° | 180.0° |
| H8 | CG | CD | H11 | 59.5° | 60.0° |
| H9 | CG | CD | H10 | 60.3° | 60.0° |
| H9 | CG | CD | H11 | 179.5° | 180.0° |
| H10 | CD | NE | H12 | 140.6° | 120.0° |
| H11 | CD | NE | H12 | 100.2° | 119.9° |
| H14 | NH2 | C02 | H17 | 119.6° | 120.0° |
| H14 | NH2 | C02 | H18 | 119.9° | 119.9° |
| H15 | C01 | C02 | H17 | 179.0° | 180.0° |
| H15 | C01 | C02 | H18 | 60.5° | 60.0° |
| H15 | C01 | C03 | H19 | 180.0° | 180.0° |
| H15 | C01 | C03 | H20 | 59.8° | 60.0° |
| H16 | C01 | C02 | H17 | 59.5° | 60.0° |
| H16 | C01 | C02 | H18 | 179.9° | 180.0° |
| H16 | C01 | C03 | H19 | 60.5° | 59.9° |
| H16 | C01 | C03 | H20 | 179.3° | 180.0° |
| H19 | C03 | C04 | H21 | 60.1° | 60.0° |
| H19 | C03 | C04 | H22 | 179.9° | 180.0° |
| H19 | C03 | C04 | H23 | 59.9° | 60.0° |
| H20 | C03 | C04 | H21 | 60.1° | 60.0° |
| H20 | C03 | C04 | H22 | 59.9° | 60.0° |
| H20 | C03 | C04 | H23 | 179.9° | 180.0° |
| H21 | C04 | H22 | H23 | 120.0° | 120.1° |
