EJ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.35Å | 1.27Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | CA | sing | 1.40Å | 1.52Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CA | N | doub | 1.33Å | 1.28Å | |
| CA | CB | sing | 1.51Å | 1.54Å | |
| N | C4A | sing | 1.32Å | 1.46Å | |
| O3 | C3 | sing | 1.36Å | 1.39Å | |
| CD | NE | sing | 1.46Å | 1.45Å | |
| O3P | P | doub | 1.48Å | 1.50Å | |
| C4A | C4 | doub | 1.41Å | 1.35Å | |
| O2P | P | sing | 1.61Å | 1.50Å | |
| C3 | C4 | sing | 1.42Å | 1.37Å | |
| C3 | C2 | doub | 1.36Å | 1.39Å | |
| NE | CZ | sing | 1.38Å | 1.45Å | |
| C4 | C5 | sing | 1.41Å | 1.36Å | |
| P | O4P | sing | 1.61Å | 1.64Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| O4P | C5A | sing | 1.43Å | 1.40Å | |
| C2A | C2 | sing | 1.51Å | 1.53Å | |
| NH2 | CZ | doub | 1.30Å | 1.27Å | |
| C2 | N1 | sing | 1.36Å | 1.34Å | |
| CZ | NH1 | sing | 1.37Å | 1.44Å | |
| C5 | C5A | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | |
| N1 | C6 | sing | 1.36Å | 1.34Å | |
| 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 | H7 | sing | 1.09Å | 1.10Å | |
| C2A | H8 | sing | 1.09Å | 1.10Å | |
| C2A | H9 | sing | 1.09Å | 1.10Å | |
| C4A | H10 | sing | 1.08Å | 1.08Å | |
| C5A | H12 | sing | 1.09Å | 1.10Å | |
| C5A | H13 | sing | 1.09Å | 1.10Å | |
| CG | H15 | sing | 1.09Å | 1.10Å | |
| CG | H16 | sing | 1.09Å | 1.10Å | |
| CD | H17 | sing | 1.09Å | 1.10Å | |
| CD | H18 | sing | 1.09Å | 1.10Å | |
| NE | H19 | sing | 0.97Å | 1.00Å | |
| NH1 | H20 | sing | 0.97Å | 1.00Å | |
| NH1 | H21 | sing | 0.97Å | 1.00Å | |
| NH2 | H22 | sing | 0.97Å | 1.00Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| OXT | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 119.5° | 120.0° |
| OXT | C | CA | 125.1° | 120.0° |
| C | OXT | H14 | 109.5° | 114.0° |
| O | C | CA | 115.4° | 120.0° |
| C | CA | N | 114.0° | 120.0° |
| C | CA | CB | 121.1° | 120.0° |
| CD | CG | CB | 108.5° | 109.5° |
| CG | CD | NE | 107.6° | 109.5° |
| CD | CG | H15 | 109.7° | 109.4° |
| CD | CG | H16 | 109.7° | 109.5° |
| CG | CD | H17 | 109.9° | 109.4° |
| CG | CD | H18 | 110.0° | 109.4° |
| CG | CB | CA | 115.1° | 109.5° |
| CG | CB | H2 | 108.0° | 109.5° |
| CG | CB | H3 | 108.1° | 109.5° |
| CB | CG | H15 | 109.7° | 109.5° |
| CB | CG | H16 | 109.7° | 109.5° |
| N | CA | CB | 124.6° | 120.0° |
| CA | N | C4A | 129.6° | 120.0° |
| CA | CB | H2 | 108.1° | 109.5° |
| CA | CB | H3 | 108.0° | 109.5° |
| N | C4A | C4 | 122.4° | 120.0° |
| N | C4A | H10 | 118.8° | 120.0° |
| O3 | C3 | C4 | 123.6° | 120.4° |
| O3 | C3 | C2 | 116.1° | 120.4° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| CD | NE | CZ | 122.3° | 120.0° |
| NE | CD | H17 | 109.9° | 109.5° |
| NE | CD | H18 | 109.9° | 109.5° |
| CD | NE | H19 | 118.8° | 120.0° |
| O3P | P | O2P | 114.8° | 109.5° |
| O3P | P | O4P | 105.3° | 109.5° |
| O3P | P | O1P | 111.2° | 109.5° |
| C4A | C4 | C3 | 124.3° | 120.7° |
| C4A | C4 | C5 | 117.5° | 120.7° |
| C4 | C4A | H10 | 118.8° | 120.0° |
| O2P | P | O4P | 107.4° | 109.4° |
| O2P | P | O1P | 109.9° | 109.5° |
| P | O2P | H6 | 109.5° | 113.9° |
| C4 | C3 | C2 | 120.3° | 119.2° |
| C3 | C4 | C5 | 118.2° | 118.6° |
| C3 | C2 | C2A | 120.6° | 119.8° |
| C3 | C2 | N1 | 120.1° | 120.6° |
| NE | CZ | NH2 | 121.7° | 120.0° |
| NE | CZ | NH1 | 118.1° | 119.9° |
| CZ | NE | H19 | 118.9° | 120.0° |
| C4 | C5 | C5A | 120.6° | 120.3° |
| C4 | C5 | C6 | 121.0° | 119.3° |
| O4P | P | O1P | 107.8° | 109.5° |
| P | O4P | C5A | 118.5° | 123.0° |
| P | O1P | H5 | 109.5° | 114.0° |
| O4P | C5A | C5 | 106.9° | 109.4° |
| O4P | C5A | H12 | 110.1° | 109.5° |
| O4P | C5A | H13 | 110.1° | 109.4° |
| C2A | C2 | N1 | 119.3° | 119.7° |
| C2 | C2A | H7 | 109.5° | 109.5° |
| C2 | C2A | H8 | 109.4° | 109.5° |
| C2 | C2A | H9 | 109.5° | 109.5° |
| NH2 | CZ | NH1 | 120.2° | 120.1° |
| CZ | NH2 | H22 | 112.0° | 119.9° |
| C2 | N1 | C6 | 120.6° | 121.5° |
| C2 | N1 | H11 | 119.7° | 119.3° |
| CZ | NH1 | H20 | 120.0° | 120.1° |
| CZ | NH1 | H21 | 120.0° | 119.9° |
| C5A | C5 | C6 | 118.4° | 120.4° |
| C5 | C5A | H12 | 110.1° | 109.5° |
| C5 | C5A | H13 | 110.1° | 109.5° |
| C5 | C6 | N1 | 119.8° | 120.8° |
| C5 | C6 | H1 | 120.1° | 119.6° |
| N1 | C6 | H1 | 120.1° | 119.6° |
| C6 | N1 | H11 | 119.7° | 119.2° |
| H2 | CB | H3 | 109.5° | 109.5° |
| H7 | C2A | H8 | 109.5° | 109.5° |
| H7 | C2A | H9 | 109.5° | 109.5° |
| H8 | C2A | H9 | 109.5° | 109.5° |
| H12 | C5A | H13 | 109.5° | 109.5° |
| H15 | CG | H16 | 109.5° | 109.4° |
| H17 | CD | H18 | 109.5° | 109.5° |
| H20 | NH1 | H21 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.5° | 180.0° |
| OXT | C | CA | N | 137.4° | 0.0° |
| OXT | C | CA | CB | 48.3° | 180.0° |
| O | C | CA | N | 42.1° | 179.9° |
| O | C | CA | CB | 132.2° | 0.0° |
| O | C | OXT | H14 | 0.0° | 0.1° |
| C | CA | CB | CG | 41.2° | 92.4° |
| C | CA | N | CB | 174.1° | 179.9° |
| C | CA | N | C4A | 179.1° | 174.5° |
| C | CA | CB | H2 | 79.6° | 147.6° |
| C | CA | CB | H3 | 162.1° | 27.6° |
| CA | C | OXT | H14 | 179.4° | 180.0° |
| CD | CG | CB | H15 | 119.9° | 120.0° |
| CD | CG | CB | H16 | 119.9° | 120.0° |
| CD | CG | CB | CA | 156.7° | 180.0° |
| CG | CD | NE | H17 | 119.7° | 120.0° |
| CG | CD | NE | H18 | 119.7° | 120.0° |
| CG | CD | NE | CZ | 163.5° | 180.0° |
| CD | CG | CB | H2 | 35.8° | 60.0° |
| CD | CG | CB | H3 | 82.5° | 60.0° |
| CD | CG | H15 | H16 | 120.5° | 120.0° |
| CG | CD | H17 | H18 | 120.9° | 119.9° |
| CG | CD | NE | H19 | 16.5° | 0.0° |
| CG | CB | CA | N | 145.0° | 87.6° |
| CG | CB | CA | H2 | 120.8° | 120.0° |
| CG | CB | CA | H3 | 120.8° | 120.0° |
| CB | CG | CD | NE | 51.0° | 180.0° |
| CG | CB | H2 | H3 | 117.4° | 120.0° |
| CB | CG | H15 | H16 | 120.4° | 120.0° |
| CB | CG | CD | H17 | 68.7° | 60.0° |
| CB | CG | CD | H18 | 170.7° | 60.0° |
| CA | N | C4A | C4 | 147.8° | 173.4° |
| N | CA | CB | H2 | 94.2° | 32.4° |
| N | CA | CB | H3 | 24.2° | 152.4° |
| CA | N | C4A | H10 | 32.2° | 6.6° |
| CB | CA | N | C4A | 6.7° | 5.5° |
| CA | CB | H2 | H3 | 117.4° | 120.0° |
| CA | CB | CG | H15 | 83.5° | 60.0° |
| CA | CB | CG | H16 | 36.8° | 60.0° |
| N | C4A | C4 | H10 | 180.0° | 180.0° |
| N | C4A | C4 | C3 | 12.9° | 0.0° |
| N | C4A | C4 | C5 | 165.8° | 180.0° |
| O3 | C3 | C4 | C4A | 0.8° | 0.1° |
| O3 | C3 | C4 | C2 | 179.6° | 180.0° |
| O3 | C3 | C4 | C5 | 179.5° | 180.0° |
| O3 | C3 | C2 | C2A | 0.0° | 0.3° |
| O3 | C3 | C2 | N1 | 178.6° | 180.0° |
| CD | NE | CZ | H19 | 180.0° | 179.9° |
| CD | NE | CZ | NH2 | 0.2° | 0.0° |
| CD | NE | CZ | NH1 | 179.9° | 180.0° |
| NE | CD | CG | H15 | 68.8° | 60.0° |
| NE | CD | CG | H16 | 170.9° | 60.0° |
| NE | CD | H17 | H18 | 120.9° | 120.1° |
| O3P | P | O2P | O4P | 116.7° | 120.0° |
| O3P | P | O2P | O1P | 126.3° | 120.0° |
| O3P | P | O4P | O1P | 118.8° | 120.0° |
| O3P | P | O4P | C5A | 178.0° | 55.0° |
| O3P | P | O1P | H5 | 0.0° | 180.0° |
| O3P | P | O2P | H6 | 0.0° | 60.0° |
| C4A | C4 | C3 | C5 | 178.6° | 180.0° |
| C4A | C4 | C3 | C2 | 178.7° | 180.0° |
| C4A | C4 | C5 | C5A | 1.7° | 0.0° |
| C4A | C4 | C5 | C6 | 178.9° | 180.0° |
| O2P | P | O4P | O1P | 118.4° | 120.0° |
| O2P | P | O4P | C5A | 59.2° | 175.0° |
| O2P | P | O1P | H5 | 128.2° | 60.0° |
| C4 | C3 | C2 | C2A | 179.6° | 179.7° |
| C4 | C3 | C2 | N1 | 1.0° | 0.0° |
| C3 | C4 | C5 | C5A | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | O3 | H4 | 180.0° | 180.0° |
| C3 | C4 | C4A | H10 | 167.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C2A | N1 | 178.7° | 179.7° |
| C3 | C2 | N1 | C6 | 2.0° | 0.1° |
| C2 | C3 | O3 | H4 | 0.4° | 0.0° |
| C3 | C2 | C2A | H7 | 180.0° | 179.7° |
| C3 | C2 | C2A | H8 | 60.0° | 60.3° |
| C3 | C2 | C2A | H9 | 60.0° | 59.7° |
| C3 | C2 | N1 | H11 | 178.0° | 180.0° |
| NE | CZ | NH2 | NH1 | 179.6° | 180.0° |
| CZ | NE | CD | H17 | 76.8° | 60.0° |
| CZ | NE | CD | H18 | 43.7° | 60.1° |
| NE | CZ | NH1 | H20 | 179.6° | 0.0° |
| NE | CZ | NH1 | H21 | 0.3° | 180.0° |
| NE | CZ | NH2 | H22 | 179.6° | 179.9° |
| C4 | C5 | C5A | O4P | 81.2° | 180.0° |
| C4 | C5 | C5A | C6 | 179.4° | 180.0° |
| C4 | C5 | C6 | N1 | 1.2° | 0.1° |
| C4 | C5 | C6 | H1 | 178.8° | 179.9° |
| C5 | C4 | C4A | H10 | 14.2° | 0.0° |
| C4 | C5 | C5A | H12 | 38.4° | 60.0° |
| C4 | C5 | C5A | H13 | 159.2° | 60.1° |
| P | O4P | C5A | C5 | 168.4° | 180.0° |
| O4P | P | O1P | H5 | 114.9° | 59.9° |
| O4P | P | O2P | H6 | 116.7° | 180.0° |
| P | O4P | C5A | H12 | 48.8° | 60.0° |
| P | O4P | C5A | H13 | 72.0° | 60.0° |
| O1P | P | O4P | C5A | 59.2° | 65.0° |
| O1P | P | O2P | H6 | 126.2° | 60.0° |
| O4P | C5A | C5 | H12 | 119.6° | 120.0° |
| O4P | C5A | C5 | H13 | 119.6° | 119.9° |
| O4P | C5A | C5 | C6 | 98.2° | 0.0° |
| O4P | C5A | H12 | H13 | 121.2° | 119.9° |
| C2A | C2 | N1 | C6 | 179.3° | 179.8° |
| C2 | C2A | H7 | H8 | 120.0° | 120.0° |
| C2 | C2A | H7 | H9 | 120.0° | 120.0° |
| C2 | C2A | H8 | H9 | 120.0° | 120.0° |
| C2A | C2 | N1 | H11 | 0.6° | 0.3° |
| NH2 | CZ | NE | H19 | 179.8° | 179.9° |
| NH2 | CZ | NH1 | H20 | 0.0° | 180.0° |
| NH2 | CZ | NH1 | H21 | 180.0° | 0.0° |
| C2 | N1 | C6 | C5 | 2.1° | 0.1° |
| C2 | N1 | C6 | H11 | 180.0° | 179.9° |
| C2 | N1 | C6 | H1 | 177.9° | 180.0° |
| N1 | C2 | C2A | H7 | 1.3° | 0.0° |
| N1 | C2 | C2A | H8 | 121.4° | 120.0° |
| N1 | C2 | C2A | H9 | 118.7° | 120.0° |
| NH1 | CZ | NE | H19 | 0.1° | 0.1° |
| CZ | NH1 | H20 | H21 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | H22 | 0.0° | 0.1° |
| C5A | C5 | C6 | N1 | 179.4° | 179.9° |
| C5A | C5 | C6 | H1 | 0.5° | 0.1° |
| C5 | C5A | H12 | H13 | 121.2° | 120.1° |
| C5 | C6 | N1 | H1 | 180.0° | 179.9° |
| C6 | C5 | C5A | H12 | 142.2° | 120.0° |
| C6 | C5 | C5A | H13 | 21.4° | 119.9° |
| C5 | C6 | N1 | H11 | 177.9° | 180.0° |
| H1 | C6 | N1 | H11 | 2.0° | 0.1° |
| H2 | CB | CG | H15 | 155.7° | 180.0° |
| H2 | CB | CG | H16 | 84.0° | 60.1° |
| H3 | CB | CG | H15 | 37.3° | 60.0° |
| H3 | CB | CG | H16 | 157.6° | 180.0° |
| H7 | C2A | H8 | H9 | 120.0° | 120.0° |
| H15 | CG | CD | H17 | 171.5° | 180.0° |
| H15 | CG | CD | H18 | 50.9° | 60.0° |
| H16 | CG | CD | H17 | 51.2° | 60.1° |
| H16 | CG | CD | H18 | 69.4° | 180.0° |
| H17 | CD | NE | H19 | 103.2° | 119.9° |
| H18 | CD | NE | H19 | 136.3° | 120.0° |
