5KJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH | NH2 | sing | 1.42Å | 1.39Å | |
| NH2 | CZ | sing | 1.37Å | 1.33Å | |
| CD | NE | sing | 1.46Å | 1.47Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CZ | NH1 | doub | 1.30Å | 1.29Å | |
| CZ | NE | sing | 1.38Å | 1.35Å | |
| C1 | NE | sing | 1.47Å | 1.46Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| OA2 | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | OA1 | sing | 1.34Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| OA1 | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| 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 | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| NH1 | H15 | sing | 0.97Å | 1.00Å | |
| NH2 | H17 | sing | 0.97Å | 1.00Å | |
| OH | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH | NH2 | CZ | 117.4° | 120.0° |
| OH | NH2 | H17 | 121.3° | 120.0° |
| NH2 | OH | H18 | 109.5° | 114.0° |
| NH2 | CZ | NH1 | 119.6° | 120.0° |
| NH2 | CZ | NE | 117.5° | 120.0° |
| CZ | NH2 | H17 | 121.3° | 120.0° |
| NE | CD | CG | 110.0° | 109.5° |
| CD | NE | CZ | 109.7° | 120.0° |
| CD | NE | C1 | 109.1° | 120.0° |
| NE | CD | H10 | 109.3° | 109.5° |
| NE | CD | H11 | 109.3° | 109.5° |
| CD | CG | CB | 108.1° | 109.5° |
| CD | CG | H8 | 109.8° | 109.5° |
| CD | CG | H9 | 109.8° | 109.5° |
| CG | CD | H10 | 109.3° | 109.5° |
| CG | CD | H11 | 109.3° | 109.4° |
| NH1 | CZ | NE | 122.9° | 120.0° |
| CZ | NH1 | H15 | 112.0° | 120.0° |
| CZ | NE | C1 | 110.7° | 120.0° |
| NE | C1 | H12 | 109.5° | 109.4° |
| NE | C1 | H13 | 109.5° | 109.5° |
| NE | C1 | H14 | 109.4° | 109.4° |
| CG | CB | CA | 114.6° | 109.5° |
| CG | CB | H6 | 108.2° | 109.4° |
| CG | CB | H7 | 108.2° | 109.5° |
| CB | CG | H8 | 109.8° | 109.5° |
| CB | CG | H9 | 109.8° | 109.5° |
| CB | CA | C | 112.4° | 109.5° |
| CB | CA | N | 111.2° | 109.5° |
| CB | CA | H2 | 108.3° | 109.5° |
| CA | CB | H6 | 108.2° | 109.5° |
| CA | CB | H7 | 108.2° | 109.4° |
| OA2 | C | CA | 121.6° | 120.1° |
| OA2 | C | OA1 | 120.4° | 120.0° |
| CA | C | OA1 | 117.9° | 120.0° |
| C | CA | N | 106.5° | 109.5° |
| C | CA | H2 | 108.7° | 109.5° |
| C | OA1 | H1 | 109.5° | 117.0° |
| N | CA | H2 | 109.7° | 109.4° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.4° | 109.4° |
| H10 | CD | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH | NH2 | CZ | H17 | 180.0° | 180.0° |
| OH | NH2 | CZ | NH1 | 55.6° | 0.0° |
| OH | NH2 | CZ | NE | 123.5° | 180.0° |
| NH2 | CZ | NE | CD | 92.8° | 180.0° |
| NH2 | CZ | NH1 | NE | 179.0° | 180.0° |
| NH2 | CZ | NE | C1 | 27.6° | 0.0° |
| NH2 | CZ | NH1 | H15 | 179.0° | 180.0° |
| CZ | NH2 | OH | H18 | 180.0° | 180.0° |
| NE | CD | CG | H10 | 120.1° | 120.0° |
| NE | CD | CG | H11 | 120.1° | 120.0° |
| CD | NE | CZ | NH1 | 86.2° | 0.0° |
| CD | NE | CZ | C1 | 120.4° | 180.0° |
| NE | CD | CG | CB | 140.9° | 180.0° |
| NE | CD | CG | H8 | 21.1° | 60.0° |
| NE | CD | CG | H9 | 99.3° | 60.0° |
| NE | CD | H10 | H11 | 119.8° | 120.0° |
| CD | NE | C1 | H12 | 180.0° | 90.0° |
| CD | NE | C1 | H13 | 60.0° | 150.0° |
| CD | NE | C1 | H14 | 60.0° | 30.0° |
| CG | CD | NE | CZ | 155.3° | 90.0° |
| CG | CD | NE | C1 | 83.3° | 90.0° |
| CD | CG | CB | H8 | 119.8° | 120.0° |
| CD | CG | CB | H9 | 119.8° | 120.0° |
| CD | CG | CB | CA | 159.1° | 180.0° |
| CD | CG | CB | H6 | 80.1° | 60.0° |
| CD | CG | CB | H7 | 38.4° | 60.0° |
| CD | CG | H8 | H9 | 120.6° | 120.0° |
| CG | CD | H10 | H11 | 119.7° | 120.0° |
| NH1 | CZ | NE | C1 | 153.4° | 180.0° |
| NH1 | CZ | NH2 | H17 | 124.4° | 179.9° |
| CZ | NE | CD | H10 | 84.7° | 150.0° |
| CZ | NE | CD | H11 | 35.2° | 30.0° |
| CZ | NE | C1 | H12 | 59.2° | 90.0° |
| CZ | NE | C1 | H13 | 60.7° | 30.0° |
| CZ | NE | C1 | H14 | 179.3° | 150.0° |
| NE | CZ | NH1 | H15 | 0.0° | 0.0° |
| NE | CZ | NH2 | H17 | 56.5° | 0.0° |
| C1 | NE | CD | H10 | 36.7° | 30.0° |
| C1 | NE | CD | H11 | 156.6° | 150.0° |
| NE | C1 | H12 | H13 | 120.0° | 120.0° |
| NE | C1 | H12 | H14 | 120.0° | 120.0° |
| NE | C1 | H13 | H14 | 120.0° | 120.0° |
| CG | CB | CA | H6 | 120.7° | 120.0° |
| CG | CB | CA | H7 | 120.7° | 120.0° |
| CG | CB | CA | C | 158.3° | 175.0° |
| CG | CB | CA | N | 39.0° | 65.0° |
| CG | CB | CA | H2 | 81.6° | 55.0° |
| CG | CB | H6 | H7 | 117.7° | 120.0° |
| CB | CG | H8 | H9 | 120.6° | 120.0° |
| CB | CG | CD | H10 | 99.0° | 60.0° |
| CB | CG | CD | H11 | 20.8° | 60.0° |
| CB | CA | C | OA2 | 65.2° | 100.0° |
| CB | CA | C | N | 122.0° | 120.0° |
| CB | CA | C | H2 | 119.9° | 120.1° |
| CB | CA | C | OA1 | 115.5° | 80.3° |
| CB | CA | N | H2 | 119.8° | 120.0° |
| CB | CA | N | H3 | 180.0° | 60.0° |
| CB | CA | N | H4 | 60.0° | 63.9° |
| CA | CB | H6 | H7 | 117.7° | 120.0° |
| CA | CB | CG | H8 | 39.3° | 60.0° |
| CA | CB | CG | H9 | 81.1° | 60.0° |
| OA2 | C | CA | OA1 | 179.3° | 179.7° |
| OA2 | C | CA | N | 172.8° | 20.0° |
| OA2 | C | OA1 | H1 | 0.0° | 0.0° |
| OA2 | C | CA | H2 | 54.7° | 139.9° |
| C | CA | N | H2 | 117.5° | 120.0° |
| CA | C | OA1 | H1 | 179.3° | 179.7° |
| C | CA | N | H3 | 57.2° | 60.0° |
| C | CA | N | H4 | 62.8° | 176.1° |
| C | CA | CB | H6 | 80.9° | 65.0° |
| C | CA | CB | H7 | 37.6° | 55.0° |
| OA1 | C | CA | N | 6.5° | 159.7° |
| OA1 | C | CA | H2 | 124.6° | 39.8° |
| CA | N | H3 | H4 | 120.0° | 124.0° |
| N | CA | CB | H6 | 159.7° | 55.0° |
| N | CA | CB | H7 | 81.8° | 175.0° |
| H2 | CA | N | H3 | 60.2° | 180.0° |
| H2 | CA | N | H4 | 179.8° | 56.1° |
| H2 | CA | CB | H6 | 39.2° | 175.0° |
| H2 | CA | CB | H7 | 157.7° | 65.0° |
| H6 | CB | CG | H8 | 160.1° | 180.0° |
| H6 | CB | CG | H9 | 39.7° | 60.0° |
| H7 | CB | CG | H8 | 81.4° | 60.0° |
| H7 | CB | CG | H9 | 158.2° | 180.0° |
| H8 | CG | CD | H10 | 141.2° | 180.0° |
| H8 | CG | CD | H11 | 99.0° | 60.0° |
| H9 | CG | CD | H10 | 20.8° | 60.1° |
| H9 | CG | CD | H11 | 140.6° | 180.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.1° |
| H17 | NH2 | OH | H18 | 0.0° | 0.0° |
