5DK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NH2 | CZ | doub | 1.30Å | 1.26Å | |
| CZ | NE | sing | 1.38Å | 1.47Å | |
| CZ | NH1 | sing | 1.37Å | 1.47Å | |
| NE | CD | sing | 1.47Å | 1.47Å | |
| OXT | C | doub | 1.21Å | 1.26Å | |
| C | O | sing | 1.34Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.55Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | C4A | doub | 1.29Å | 1.26Å | |
| O3P | P | doub | 1.48Å | 1.51Å | |
| O1P | P | sing | 1.61Å | 1.53Å | |
| C4A | C4 | sing | 1.48Å | 1.56Å | |
| P | O4P | sing | 1.61Å | 1.64Å | |
| P | O2P | sing | 1.61Å | 1.54Å | |
| O3 | C3 | sing | 1.36Å | 1.39Å | |
| O4P | C5A | sing | 1.43Å | 1.40Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5A | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.54Å | |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.31Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| O1P | H5 | sing | 0.97Å | 0.95Å | |
| O2P | H6 | sing | 0.97Å | 0.95Å | |
| C2A | H9 | sing | 1.09Å | 1.10Å | |
| C2A | H10 | sing | 1.09Å | 1.10Å | |
| C2A | H11 | sing | 1.09Å | 1.10Å | |
| C4A | H12 | sing | 1.08Å | 1.08Å | |
| C5A | H14 | sing | 1.09Å | 1.10Å | |
| C5A | H15 | sing | 1.09Å | 1.10Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| CG | H18 | sing | 1.09Å | 1.10Å | |
| CG | H19 | sing | 1.09Å | 1.10Å | |
| CD | H20 | sing | 1.09Å | 1.10Å | |
| CD | H21 | sing | 1.09Å | 1.10Å | |
| NE | H22 | sing | 0.97Å | 1.00Å | |
| NH1 | H23 | sing | 0.97Å | 1.00Å | |
| NH1 | H24 | sing | 0.97Å | 1.00Å | |
| NH2 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NH2 | CZ | NE | 119.2° | 120.0° |
| NH2 | CZ | NH1 | 119.9° | 120.0° |
| CZ | NH2 | H25 | 112.0° | 120.0° |
| NE | CZ | NH1 | 120.9° | 120.0° |
| CZ | NE | CD | 120.4° | 120.0° |
| CZ | NE | H22 | 119.8° | 120.0° |
| CZ | NH1 | H23 | 120.0° | 120.0° |
| CZ | NH1 | H24 | 120.0° | 120.0° |
| NE | CD | CG | 109.4° | 109.5° |
| NE | CD | H20 | 109.5° | 109.4° |
| NE | CD | H21 | 109.5° | 109.4° |
| CD | NE | H22 | 119.8° | 120.0° |
| OXT | C | O | 114.6° | 120.0° |
| OXT | C | CA | 122.8° | 120.0° |
| O | C | CA | 122.6° | 120.0° |
| C | O | H17 | 109.5° | 117.0° |
| C | CA | CB | 109.2° | 109.5° |
| C | CA | N | 111.4° | 109.5° |
| C | CA | H16 | 109.1° | 109.5° |
| CD | CG | CB | 110.1° | 109.4° |
| CD | CG | H18 | 109.3° | 109.5° |
| CD | CG | H19 | 109.3° | 109.5° |
| CG | CD | H20 | 109.5° | 109.5° |
| CG | CD | H21 | 109.5° | 109.5° |
| CG | CB | CA | 112.7° | 109.5° |
| CG | CB | H2 | 108.7° | 109.5° |
| CG | CB | H3 | 108.7° | 109.5° |
| CB | CG | H18 | 109.3° | 109.5° |
| CB | CG | H19 | 109.3° | 109.4° |
| CB | CA | N | 107.7° | 109.5° |
| CA | CB | H2 | 108.6° | 109.5° |
| CA | CB | H3 | 108.6° | 109.4° |
| CB | CA | H16 | 109.2° | 109.4° |
| CA | N | C4A | 108.7° | 120.0° |
| N | CA | H16 | 110.1° | 109.5° |
| N | C4A | C4 | 113.8° | 120.0° |
| N | C4A | H12 | 123.1° | 120.0° |
| O3P | P | O1P | 110.3° | 109.5° |
| O3P | P | O4P | 108.9° | 109.5° |
| O3P | P | O2P | 106.2° | 109.5° |
| O1P | P | O4P | 112.4° | 109.4° |
| O1P | P | O2P | 109.0° | 109.4° |
| P | O1P | H5 | 109.5° | 114.0° |
| C4A | C4 | C3 | 124.7° | 120.9° |
| C4A | C4 | C5 | 119.3° | 121.0° |
| C4 | C4A | H12 | 123.1° | 120.0° |
| O4P | P | O2P | 109.9° | 109.5° |
| P | O4P | C5A | 117.2° | 123.0° |
| P | O2P | H6 | 109.5° | 114.0° |
| O3 | C3 | C4 | 122.4° | 120.6° |
| O3 | C3 | C2 | 117.3° | 120.6° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| O4P | C5A | C5 | 105.4° | 109.5° |
| O4P | C5A | H14 | 110.5° | 109.5° |
| O4P | C5A | H15 | 110.5° | 109.5° |
| C3 | C4 | C5 | 116.0° | 118.1° |
| C4 | C3 | C2 | 120.3° | 118.8° |
| C4 | C5 | C5A | 119.4° | 120.5° |
| C4 | C5 | C6 | 120.6° | 119.0° |
| C3 | C2 | C2A | 117.2° | 119.6° |
| C3 | C2 | N1 | 121.3° | 120.8° |
| C5A | C5 | C6 | 120.0° | 120.4° |
| C5 | C5A | H14 | 110.5° | 109.5° |
| C5 | C5A | H15 | 110.5° | 109.5° |
| C5 | C6 | N1 | 121.3° | 121.0° |
| C5 | C6 | H1 | 119.4° | 119.5° |
| C2A | C2 | N1 | 121.5° | 119.6° |
| C2 | C2A | H9 | 109.5° | 109.5° |
| C2 | C2A | H10 | 109.4° | 109.5° |
| C2 | C2A | H11 | 109.5° | 109.5° |
| C2 | N1 | C6 | 120.4° | 122.1° |
| N1 | C6 | H1 | 119.4° | 119.5° |
| H2 | CB | H3 | 109.5° | 109.5° |
| H9 | C2A | H10 | 109.5° | 109.4° |
| H9 | C2A | H11 | 109.5° | 109.5° |
| H10 | C2A | H11 | 109.5° | 109.5° |
| H14 | C5A | H15 | 109.5° | 109.5° |
| H18 | CG | H19 | 109.5° | 109.5° |
| H20 | CD | H21 | 109.5° | 109.5° |
| H23 | NH1 | H24 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH2 | CZ | NE | NH1 | 178.8° | 180.0° |
| NH2 | CZ | NE | CD | 159.1° | 180.0° |
| NH2 | CZ | NE | H22 | 20.9° | 0.0° |
| NH2 | CZ | NH1 | H23 | 178.8° | 180.0° |
| NH2 | CZ | NH1 | H24 | 1.2° | 0.0° |
| CZ | NE | CD | H22 | 180.0° | 180.0° |
| CZ | NE | CD | CG | 163.1° | 180.0° |
| CZ | NE | CD | H20 | 43.1° | 60.0° |
| CZ | NE | CD | H21 | 76.9° | 60.0° |
| NE | CZ | NH1 | H23 | 0.0° | 0.0° |
| NE | CZ | NH1 | H24 | 180.0° | 180.0° |
| NE | CZ | NH2 | H25 | 178.8° | 179.9° |
| NH1 | CZ | NE | CD | 22.1° | 0.0° |
| NH1 | CZ | NE | H22 | 157.9° | 180.0° |
| CZ | NH1 | H23 | H24 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | H25 | 0.0° | 0.1° |
| NE | CD | CG | H20 | 120.0° | 120.0° |
| NE | CD | CG | H21 | 120.0° | 120.0° |
| NE | CD | CG | CB | 87.8° | 180.0° |
| NE | CD | CG | H18 | 32.3° | 60.0° |
| NE | CD | CG | H19 | 152.1° | 60.0° |
| NE | CD | H20 | H21 | 120.1° | 119.9° |
| OXT | C | O | CA | 179.2° | 180.0° |
| OXT | C | CA | CB | 46.9° | 120.0° |
| OXT | C | CA | N | 165.8° | 0.0° |
| OXT | C | CA | H16 | 72.4° | 120.0° |
| OXT | C | O | H17 | 0.0° | 0.1° |
| O | C | CA | CB | 134.0° | 60.0° |
| O | C | CA | N | 15.1° | 180.0° |
| O | C | CA | H16 | 106.7° | 60.0° |
| C | CA | CB | CG | 98.2° | 175.0° |
| C | CA | CB | N | 121.2° | 120.0° |
| C | CA | CB | H16 | 119.3° | 120.0° |
| C | CA | N | H16 | 121.3° | 120.0° |
| C | CA | N | C4A | 179.8° | 120.0° |
| C | CA | CB | H2 | 141.3° | 55.0° |
| C | CA | CB | H3 | 22.3° | 65.0° |
| CA | C | O | H17 | 179.2° | 180.0° |
| CD | CG | CB | H18 | 120.1° | 120.0° |
| CD | CG | CB | H19 | 120.1° | 119.9° |
| CD | CG | CB | CA | 150.6° | 180.0° |
| CD | CG | CB | H2 | 30.2° | 60.0° |
| CD | CG | CB | H3 | 88.9° | 60.0° |
| CD | CG | H18 | H19 | 119.7° | 120.0° |
| CG | CD | H20 | H21 | 120.0° | 120.1° |
| CG | CD | NE | H22 | 16.9° | 0.0° |
| CG | CB | CA | H2 | 120.5° | 120.0° |
| CG | CB | CA | H3 | 120.5° | 120.0° |
| CG | CB | CA | N | 140.7° | 65.0° |
| CG | CB | H2 | H3 | 118.5° | 120.0° |
| CG | CB | CA | H16 | 21.1° | 55.0° |
| CB | CG | H18 | H19 | 119.7° | 120.0° |
| CB | CG | CD | H20 | 152.2° | 60.0° |
| CB | CG | CD | H21 | 32.2° | 60.1° |
| CB | CA | N | H16 | 119.0° | 120.0° |
| CB | CA | N | C4A | 60.0° | 119.9° |
| CA | CB | H2 | H3 | 118.5° | 120.0° |
| CA | CB | CG | H18 | 89.3° | 60.0° |
| CA | CB | CG | H19 | 30.5° | 60.1° |
| CA | N | C4A | C4 | 164.0° | 180.0° |
| N | CA | CB | H2 | 20.2° | 175.0° |
| N | CA | CB | H3 | 98.9° | 55.0° |
| CA | N | C4A | H12 | 16.0° | 0.1° |
| N | C4A | C4 | H12 | 180.0° | 179.9° |
| N | C4A | C4 | C3 | 6.2° | 0.1° |
| N | C4A | C4 | C5 | 174.3° | 179.9° |
| C4A | N | CA | H16 | 58.9° | 0.0° |
| O3P | P | O1P | O4P | 121.7° | 120.1° |
| O3P | P | O1P | O2P | 116.2° | 120.0° |
| O3P | P | O4P | O2P | 115.9° | 120.0° |
| O3P | P | O4P | C5A | 72.0° | 55.0° |
| O3P | P | O1P | H5 | 0.0° | 180.0° |
| O3P | P | O2P | H6 | 0.0° | 59.9° |
| O1P | P | O4P | O2P | 121.6° | 119.9° |
| O1P | P | O4P | C5A | 165.5° | 65.0° |
| O1P | P | O2P | H6 | 118.8° | 60.1° |
| C4A | C4 | C3 | O3 | 0.6° | 0.1° |
| C4A | C4 | C3 | C5 | 179.5° | 180.0° |
| C4A | C4 | C3 | C2 | 179.9° | 180.0° |
| C4A | C4 | C5 | C5A | 0.9° | 0.0° |
| C4A | C4 | C5 | C6 | 179.6° | 180.0° |
| P | O4P | C5A | C5 | 178.9° | 180.0° |
| O4P | P | O1P | H5 | 121.7° | 60.0° |
| O4P | P | O2P | H6 | 117.6° | 180.0° |
| P | O4P | C5A | H14 | 61.8° | 60.0° |
| P | O4P | C5A | H15 | 59.5° | 60.0° |
| O2P | P | O4P | C5A | 43.9° | 175.0° |
| O2P | P | O1P | H5 | 116.3° | 60.0° |
| O3 | C3 | C4 | C2 | 179.5° | 179.9° |
| O3 | C3 | C4 | C5 | 178.9° | 179.9° |
| O3 | C3 | C2 | C2A | 0.7° | 0.0° |
| O3 | C3 | C2 | N1 | 179.5° | 179.7° |
| O4P | C5A | C5 | C4 | 73.9° | 180.0° |
| O4P | C5A | C5 | H14 | 119.4° | 120.0° |
| O4P | C5A | C5 | H15 | 119.4° | 120.0° |
| O4P | C5A | C5 | C6 | 104.8° | 0.0° |
| O4P | C5A | H14 | H15 | 121.9° | 120.0° |
| C3 | C4 | C5 | C5A | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C4 | C3 | C2 | C2A | 178.8° | 180.0° |
| C4 | C3 | C2 | N1 | 0.0° | 0.3° |
| C4 | C3 | O3 | H4 | 180.0° | 90.1° |
| C3 | C4 | C4A | H12 | 173.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C5A | C6 | 178.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.6° | 0.4° |
| C4 | C5 | C6 | H1 | 179.5° | 179.9° |
| C5 | C4 | C4A | H12 | 5.7° | 0.0° |
| C4 | C5 | C5A | H14 | 45.5° | 60.0° |
| C4 | C5 | C5A | H15 | 166.8° | 60.0° |
| C3 | C2 | C2A | N1 | 178.9° | 179.7° |
| C3 | C2 | N1 | C6 | 0.4° | 0.6° |
| C2 | C3 | O3 | H4 | 0.5° | 90.0° |
| C3 | C2 | C2A | H9 | 178.9° | 90.3° |
| C3 | C2 | C2A | H10 | 61.1° | 29.7° |
| C3 | C2 | C2A | H11 | 58.9° | 149.7° |
| C5A | C5 | C6 | N1 | 179.3° | 179.7° |
| C5A | C5 | C6 | H1 | 0.8° | 0.1° |
| C5 | C5A | H14 | H15 | 121.9° | 120.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.6° |
| C5 | C6 | N1 | H1 | 180.0° | 179.6° |
| C6 | C5 | C5A | H14 | 135.8° | 120.0° |
| C6 | C5 | C5A | H15 | 14.5° | 120.0° |
| C2A | C2 | N1 | C6 | 178.5° | 179.7° |
| C2 | C2A | H9 | H10 | 120.0° | 120.0° |
| C2 | C2A | H9 | H11 | 120.0° | 120.0° |
| C2 | C2A | H10 | H11 | 120.0° | 120.0° |
| C2 | N1 | C6 | H1 | 179.9° | 179.8° |
| N1 | C2 | C2A | H9 | 0.0° | 90.0° |
| N1 | C2 | C2A | H10 | 120.0° | 150.0° |
| N1 | C2 | C2A | H11 | 120.0° | 30.0° |
| H2 | CB | CA | H16 | 99.4° | 65.0° |
| H2 | CB | CG | H18 | 150.2° | 180.0° |
| H2 | CB | CG | H19 | 89.9° | 59.9° |
| H3 | CB | CA | H16 | 141.6° | 175.0° |
| H3 | CB | CG | H18 | 31.2° | 60.0° |
| H3 | CB | CG | H19 | 151.0° | 180.0° |
| H9 | C2A | H10 | H11 | 120.0° | 120.0° |
| H18 | CG | CD | H20 | 87.7° | 180.0° |
| H18 | CG | CD | H21 | 152.3° | 59.9° |
| H19 | CG | CD | H20 | 32.1° | 59.9° |
| H19 | CG | CD | H21 | 87.9° | 180.0° |
| H20 | CD | NE | H22 | 136.9° | 120.0° |
| H21 | CD | NE | H22 | 103.0° | 120.0° |
