562
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | N03 | doub | 1.12Å | 1.26Å | |
| N03 | N02 | doub | 1.12Å | 1.26Å | |
| N02 | C06 | sing | 1.46Å | 1.45Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C04 | O02 | sing | 1.43Å | 1.39Å | |
| C03 | O01 | sing | 1.43Å | 1.40Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| O02 | C05 | sing | 1.43Å | 1.40Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| O01 | C01 | sing | 1.43Å | 1.39Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | NH2 | sing | 1.47Å | 1.45Å | |
| NE | CD | sing | 1.46Å | 1.45Å | |
| NE | CZ | sing | 1.37Å | 1.44Å | |
| CG | CD | sing | 1.53Å | 1.50Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| NH2 | CZ | sing | 1.38Å | 1.33Å | |
| CZ | NH1 | doub | 1.30Å | 1.33Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.08Å | |
| 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 | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| NH2 | H16 | sing | 0.97Å | 1.00Å | |
| N08 | H17 | sing | 0.97Å | 1.00Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C02 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C06 | H26 | sing | 1.09Å | 1.10Å | |
| C06 | H27 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | N03 | N02 | 179.7° | 180.0° |
| N03 | N08 | H17 | 112.0° | 120.0° |
| N03 | N02 | C06 | 116.2° | 120.0° |
| N02 | C06 | C05 | 107.6° | 109.5° |
| N02 | C06 | H26 | 109.9° | 109.5° |
| N02 | C06 | H27 | 109.9° | 109.5° |
| C03 | C04 | O02 | 110.7° | 109.5° |
| C04 | C03 | O01 | 107.7° | 109.5° |
| C04 | C03 | H20 | 109.9° | 109.5° |
| C04 | C03 | H21 | 109.9° | 109.5° |
| C03 | C04 | H22 | 109.2° | 109.5° |
| C03 | C04 | H23 | 109.2° | 109.5° |
| C04 | O02 | C05 | 110.5° | 114.0° |
| O02 | C04 | H22 | 109.1° | 109.5° |
| O02 | C04 | H23 | 109.2° | 109.4° |
| C03 | O01 | C01 | 110.5° | 114.0° |
| O01 | C03 | H20 | 109.9° | 109.5° |
| O01 | C03 | H21 | 109.9° | 109.5° |
| C06 | C05 | O02 | 110.8° | 109.4° |
| C06 | C05 | H24 | 109.1° | 109.5° |
| C06 | C05 | H25 | 109.2° | 109.5° |
| C05 | C06 | H26 | 109.9° | 109.5° |
| C05 | C06 | H27 | 109.9° | 109.4° |
| O02 | C05 | H24 | 109.2° | 109.5° |
| O02 | C05 | H25 | 109.1° | 109.5° |
| N | CA | CB | 112.2° | 109.4° |
| N | CA | C | 109.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.4° | 109.5° |
| O01 | C01 | C02 | 111.3° | 109.4° |
| O01 | C01 | H14 | 109.0° | 109.4° |
| O01 | C01 | H15 | 109.0° | 109.5° |
| C01 | C02 | NH2 | 111.8° | 109.5° |
| C02 | C01 | H14 | 109.0° | 109.5° |
| C02 | C01 | H15 | 109.0° | 109.5° |
| C01 | C02 | H18 | 108.9° | 109.5° |
| C01 | C02 | H19 | 108.9° | 109.5° |
| C02 | NH2 | CZ | 122.6° | 120.0° |
| C02 | NH2 | H16 | 118.7° | 120.0° |
| NH2 | C02 | H18 | 108.9° | 109.5° |
| NH2 | C02 | H19 | 108.9° | 109.5° |
| CD | NE | CZ | 117.0° | 120.0° |
| NE | CD | CG | 112.6° | 109.5° |
| NE | CD | H10 | 108.7° | 109.5° |
| NE | CD | H11 | 108.7° | 109.5° |
| CD | NE | H12 | 121.5° | 120.0° |
| NE | CZ | NH2 | 120.6° | 120.0° |
| NE | CZ | NH1 | 119.2° | 120.0° |
| CZ | NE | H12 | 121.5° | 120.0° |
| CD | CG | CB | 108.7° | 109.5° |
| CD | CG | H8 | 109.7° | 109.5° |
| CD | CG | H9 | 109.7° | 109.4° |
| CG | CD | H10 | 108.7° | 109.5° |
| CG | CD | H11 | 108.7° | 109.5° |
| CG | CB | CA | 107.7° | 109.5° |
| CG | CB | H6 | 109.9° | 109.5° |
| CG | CB | H7 | 109.9° | 109.5° |
| CB | CG | H8 | 109.6° | 109.5° |
| CB | CG | H9 | 109.6° | 109.5° |
| CB | CA | C | 111.0° | 109.5° |
| CB | CA | HA | 107.7° | 109.5° |
| CA | CB | H6 | 109.9° | 109.5° |
| CA | CB | H7 | 109.9° | 109.4° |
| CA | C | O | 121.0° | 120.0° |
| C | CA | HA | 107.7° | 109.5° |
| CA | C | OXT | 119.5° | 120.0° |
| NH2 | CZ | NH1 | 120.2° | 120.0° |
| CZ | NH2 | H16 | 118.7° | 120.1° |
| CZ | NH1 | H13 | 112.0° | 120.0° |
| O | C | OXT | 119.5° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.5° | 109.4° |
| H10 | CD | H11 | 109.5° | 109.4° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H18 | C02 | H19 | 109.5° | 109.5° |
| H20 | C03 | H21 | 109.5° | 109.4° |
| H22 | C04 | H23 | 109.5° | 109.4° |
| H24 | C05 | H25 | 109.5° | 109.5° |
| H26 | C06 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | N03 | N02 | C06 | 127.0° | 64.9° |
| N03 | N02 | C06 | C05 | 126.9° | 120.0° |
| N02 | N03 | N08 | H17 | 0.0° | 155.0° |
| N03 | N02 | C06 | H26 | 113.4° | 120.0° |
| N03 | N02 | C06 | H27 | 7.2° | 0.1° |
| N02 | C06 | C05 | H26 | 119.7° | 120.0° |
| N02 | C06 | C05 | H27 | 119.7° | 120.0° |
| N02 | C06 | C05 | O02 | 147.7° | 65.0° |
| N02 | C06 | C05 | H24 | 27.5° | 55.0° |
| N02 | C06 | C05 | H25 | 92.1° | 175.0° |
| N02 | C06 | H26 | H27 | 120.9° | 120.0° |
| C03 | C04 | O02 | H22 | 120.2° | 120.0° |
| C03 | C04 | O02 | H23 | 120.2° | 120.0° |
| C04 | C03 | O01 | H20 | 119.7° | 120.0° |
| C04 | C03 | O01 | H21 | 119.7° | 120.0° |
| C03 | C04 | O02 | C05 | 163.8° | 180.0° |
| C04 | C03 | O01 | C01 | 148.3° | 180.0° |
| C04 | C03 | H20 | H21 | 120.8° | 120.0° |
| C03 | C04 | H22 | H23 | 119.5° | 120.0° |
| O02 | C04 | C03 | O01 | 91.4° | 65.0° |
| C04 | O02 | C05 | C06 | 119.4° | 180.0° |
| O02 | C04 | C03 | H20 | 28.3° | 55.0° |
| O02 | C04 | C03 | H21 | 148.9° | 175.0° |
| O02 | C04 | H22 | H23 | 119.5° | 120.0° |
| C04 | O02 | C05 | H24 | 0.8° | 60.0° |
| C04 | O02 | C05 | H25 | 120.4° | 60.0° |
| C03 | O01 | C01 | C02 | 101.2° | 180.0° |
| C03 | O01 | C01 | H14 | 138.5° | 60.0° |
| C03 | O01 | C01 | H15 | 19.1° | 60.0° |
| O01 | C03 | H20 | H21 | 120.8° | 120.0° |
| O01 | C03 | C04 | H22 | 28.8° | 55.1° |
| O01 | C03 | C04 | H23 | 148.4° | 175.0° |
| C06 | C05 | O02 | H24 | 120.2° | 120.0° |
| C06 | C05 | O02 | H25 | 120.2° | 120.0° |
| C06 | C05 | H24 | H25 | 119.4° | 120.0° |
| C05 | C06 | H26 | H27 | 120.9° | 120.0° |
| C05 | O02 | C04 | H22 | 43.6° | 60.0° |
| C05 | O02 | C04 | H23 | 76.0° | 60.0° |
| O02 | C05 | H24 | H25 | 119.4° | 120.1° |
| O02 | C05 | C06 | H26 | 92.6° | 55.0° |
| O02 | C05 | C06 | H27 | 28.0° | 175.0° |
| N | CA | CB | CG | 63.7° | 65.0° |
| N | CA | CB | C | 123.1° | 120.0° |
| N | CA | CB | HA | 119.2° | 120.0° |
| N | CA | C | HA | 117.8° | 120.0° |
| N | CA | C | O | 141.0° | 20.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 39.0° | 160.0° |
| N | CA | CB | H6 | 176.5° | 55.0° |
| N | CA | CB | H7 | 56.0° | 175.0° |
| O01 | C01 | C02 | H14 | 120.3° | 119.9° |
| O01 | C01 | C02 | H15 | 120.3° | 120.0° |
| O01 | C01 | C02 | NH2 | 175.3° | 65.0° |
| O01 | C01 | H14 | H15 | 119.1° | 120.0° |
| O01 | C01 | C02 | H18 | 64.4° | 175.0° |
| O01 | C01 | C02 | H19 | 55.0° | 55.0° |
| C01 | O01 | C03 | H20 | 28.6° | 60.0° |
| C01 | O01 | C03 | H21 | 92.0° | 60.0° |
| C01 | C02 | NH2 | H18 | 120.4° | 120.0° |
| C01 | C02 | NH2 | H19 | 120.3° | 120.0° |
| C01 | C02 | NH2 | CZ | 154.7° | 180.0° |
| C02 | C01 | H14 | H15 | 119.2° | 120.0° |
| C01 | C02 | NH2 | H16 | 25.3° | 0.0° |
| C01 | C02 | H18 | H19 | 119.0° | 120.0° |
| C02 | NH2 | CZ | NE | 1.6° | 180.0° |
| C02 | NH2 | CZ | H16 | 180.0° | 179.9° |
| C02 | NH2 | CZ | NH1 | 179.3° | 0.0° |
| NH2 | C02 | C01 | H14 | 55.0° | 55.0° |
| NH2 | C02 | C01 | H15 | 64.4° | 175.0° |
| NH2 | C02 | H18 | H19 | 118.9° | 120.0° |
| CD | NE | CZ | H12 | 180.0° | 180.0° |
| NE | CD | CG | H10 | 120.5° | 120.1° |
| NE | CD | CG | H11 | 120.5° | 120.0° |
| NE | CD | CG | CB | 177.2° | 180.0° |
| CD | NE | CZ | NH2 | 178.8° | 180.0° |
| CD | NE | CZ | NH1 | 0.3° | 0.0° |
| NE | CD | CG | H8 | 63.0° | 59.9° |
| NE | CD | CG | H9 | 57.3° | 60.0° |
| NE | CD | H10 | H11 | 118.6° | 120.0° |
| CZ | NE | CD | CG | 157.2° | 180.0° |
| NE | CZ | NH2 | NH1 | 179.1° | 180.0° |
| CZ | NE | CD | H10 | 36.7° | 60.0° |
| CZ | NE | CD | H11 | 82.4° | 60.0° |
| NE | CZ | NH1 | H13 | 179.1° | 180.0° |
| NE | CZ | NH2 | H16 | 178.3° | 0.1° |
| CD | CG | CB | H8 | 119.9° | 120.0° |
| CD | CG | CB | H9 | 119.9° | 120.0° |
| CD | CG | CB | CA | 174.8° | 180.0° |
| CD | CG | CB | H6 | 55.1° | 60.0° |
| CD | CG | CB | H7 | 65.4° | 60.0° |
| CD | CG | H8 | H9 | 120.4° | 119.9° |
| CG | CD | H10 | H11 | 118.5° | 119.9° |
| CG | CD | NE | H12 | 22.9° | 0.0° |
| CG | CB | CA | H6 | 119.7° | 120.0° |
| CG | CB | CA | H7 | 119.7° | 120.0° |
| CG | CB | CA | C | 173.1° | 175.0° |
| CG | CB | CA | HA | 55.5° | 55.0° |
| CG | CB | H6 | H7 | 120.8° | 120.0° |
| CB | CG | H8 | H9 | 120.3° | 120.0° |
| CB | CG | CD | H10 | 56.7° | 60.0° |
| CB | CG | CD | H11 | 62.4° | 60.0° |
| CB | CA | C | HA | 117.6° | 120.0° |
| CB | CA | C | O | 16.4° | 100.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CB | CA | C | OXT | 163.6° | 80.0° |
| CA | CB | H6 | H7 | 120.8° | 120.0° |
| CA | CB | CG | H8 | 65.3° | 60.0° |
| CA | CB | CG | H9 | 54.9° | 60.0° |
| CA | C | O | OXT | 180.0° | 180.0° |
| C | CA | N | H | 56.2° | 64.0° |
| C | CA | N | H2 | 63.9° | 60.0° |
| C | CA | CB | H6 | 53.4° | 65.0° |
| C | CA | CB | H7 | 67.1° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| NH2 | CZ | NE | H12 | 1.2° | 0.0° |
| NH2 | CZ | NH1 | H13 | 0.0° | 0.1° |
| CZ | NH2 | C02 | H18 | 85.0° | 60.1° |
| CZ | NH2 | C02 | H19 | 34.3° | 60.0° |
| NH1 | CZ | NE | H12 | 179.7° | 180.0° |
| NH1 | CZ | NH2 | H16 | 0.7° | 180.0° |
| O | C | CA | HA | 101.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H | N | CA | HA | 61.2° | 56.0° |
| H2 | N | CA | HA | 178.8° | 180.0° |
| HA | CA | C | OXT | 78.8° | 39.9° |
| HA | CA | CB | H6 | 64.3° | 175.0° |
| HA | CA | CB | H7 | 175.2° | 65.0° |
| H6 | CB | CG | H8 | 175.0° | 180.0° |
| H6 | CB | CG | H9 | 64.8° | 60.0° |
| H7 | CB | CG | H8 | 54.5° | 60.0° |
| H7 | CB | CG | H9 | 174.7° | 179.9° |
| H8 | CG | CD | H10 | 176.6° | NaN° |
| H8 | CG | CD | H11 | 57.5° | 60.1° |
| H9 | CG | CD | H10 | 63.2° | 60.1° |
| H9 | CG | CD | H11 | 177.8° | 180.0° |
| H10 | CD | NE | H12 | 143.3° | 120.0° |
| H11 | CD | NE | H12 | 97.6° | 120.0° |
| H14 | C01 | C02 | H18 | 175.4° | 65.0° |
| H14 | C01 | C02 | H19 | 65.3° | 174.9° |
| H15 | C01 | C02 | H18 | 55.9° | 55.0° |
| H15 | C01 | C02 | H19 | 175.2° | 65.0° |
| H16 | NH2 | C02 | H18 | 95.0° | 120.0° |
| H16 | NH2 | C02 | H19 | 145.7° | 119.9° |
| H20 | C03 | C04 | H22 | 148.5° | 175.0° |
| H20 | C03 | C04 | H23 | 91.8° | 65.0° |
| H21 | C03 | C04 | H22 | 90.9° | 65.0° |
| H21 | C03 | C04 | H23 | 28.7° | 55.0° |
| H24 | C05 | C06 | H26 | 147.2° | 175.0° |
| H24 | C05 | C06 | H27 | 92.2° | 65.0° |
| H25 | C05 | C06 | H26 | 27.6° | 65.0° |
| H25 | C05 | C06 | H27 | 148.2° | 55.0° |
