1KJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | OH | sing | 1.43Å | 1.43Å | |
| OH | NH1 | sing | 1.42Å | 1.30Å | |
| NH1 | CZ | sing | 1.37Å | 1.32Å | |
| CD | NE | sing | 1.47Å | 1.46Å | |
| CD | CG | sing | 1.53Å | 1.54Å | |
| CZ | NH2 | doub | 1.30Å | 1.33Å | |
| CZ | NE | sing | 1.37Å | 1.33Å | |
| OA1 | C | doub | 1.21Å | 1.26Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | OA2 | sing | 1.34Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| OA2 | 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 | |
| NE | H12 | sing | 0.97Å | 1.00Å | |
| NH2 | H13 | sing | 0.97Å | 1.00Å | |
| NH1 | H15 | sing | 0.97Å | 1.00Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | OH | NH1 | 109.3° | 114.0° |
| OH | C1 | H16 | 109.5° | 109.4° |
| OH | C1 | H17 | 109.4° | 109.5° |
| OH | C1 | H18 | 109.5° | 109.5° |
| OH | NH1 | CZ | 115.2° | 120.0° |
| OH | NH1 | H15 | 122.4° | 120.0° |
| NH1 | CZ | NH2 | 118.8° | 120.0° |
| NH1 | CZ | NE | 116.5° | 120.0° |
| CZ | NH1 | H15 | 122.4° | 120.0° |
| NE | CD | CG | 112.8° | 109.5° |
| CD | NE | CZ | 121.0° | 120.0° |
| NE | CD | H10 | 108.6° | 109.4° |
| NE | CD | H11 | 108.6° | 109.5° |
| CD | NE | H12 | 119.5° | 120.0° |
| CD | CG | CB | 110.8° | 109.5° |
| CD | CG | H8 | 109.2° | 109.5° |
| CD | CG | H9 | 109.1° | 109.5° |
| CG | CD | H10 | 108.6° | 109.4° |
| CG | CD | H11 | 108.6° | 109.5° |
| NH2 | CZ | NE | 124.7° | 120.0° |
| CZ | NH2 | H13 | 112.0° | 120.0° |
| CZ | NE | H12 | 119.5° | 120.0° |
| OA1 | C | CA | 121.2° | 119.9° |
| OA1 | C | OA2 | 121.2° | 120.0° |
| CG | CB | CA | 114.0° | 109.5° |
| CG | CB | H6 | 108.3° | 109.5° |
| CG | CB | H7 | 108.3° | 109.5° |
| CB | CG | H8 | 109.1° | 109.5° |
| CB | CG | H9 | 109.1° | 109.5° |
| CB | CA | C | 110.6° | 109.5° |
| CB | CA | N | 108.1° | 109.5° |
| CB | CA | H2 | 109.3° | 109.4° |
| CA | CB | H6 | 108.4° | 109.4° |
| CA | CB | H7 | 108.4° | 109.5° |
| CA | C | OA2 | 117.6° | 120.0° |
| C | CA | N | 109.2° | 109.5° |
| C | CA | H2 | 109.5° | 109.4° |
| C | OA2 | H1 | 109.5° | 117.0° |
| N | CA | H2 | 110.1° | 109.5° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| H3 | N | H4 | 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° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | OH | NH1 | CZ | 153.1° | 180.0° |
| C1 | OH | NH1 | H15 | 26.9° | 0.1° |
| OH | C1 | H16 | H17 | 120.0° | 120.0° |
| OH | C1 | H16 | H18 | 120.0° | 120.0° |
| OH | C1 | H17 | H18 | 120.0° | 120.0° |
| OH | NH1 | CZ | H15 | 180.0° | 179.9° |
| OH | NH1 | CZ | NH2 | 77.0° | 0.1° |
| OH | NH1 | CZ | NE | 102.7° | 180.0° |
| NH1 | OH | C1 | H16 | 180.0° | 60.0° |
| NH1 | OH | C1 | H17 | 60.0° | 59.9° |
| NH1 | OH | C1 | H18 | 60.0° | 180.0° |
| NH1 | CZ | NE | CD | 2.8° | 180.0° |
| NH1 | CZ | NH2 | NE | 179.6° | 179.9° |
| NH1 | CZ | NE | H12 | 177.2° | 0.0° |
| NH1 | CZ | NH2 | H13 | 179.6° | 180.0° |
| NE | CD | CG | H10 | 120.5° | 119.9° |
| NE | CD | CG | H11 | 120.5° | 120.1° |
| CD | NE | CZ | NH2 | 176.8° | 0.1° |
| CD | NE | CZ | H12 | 180.0° | 180.0° |
| NE | CD | CG | CB | 45.0° | 180.0° |
| NE | CD | CG | H8 | 75.2° | 60.0° |
| NE | CD | CG | H9 | 165.2° | 59.9° |
| NE | CD | H10 | H11 | 118.5° | 120.0° |
| CG | CD | NE | CZ | 177.9° | 180.0° |
| CD | CG | CB | H8 | 120.2° | 120.0° |
| CD | CG | CB | H9 | 120.2° | 120.1° |
| CD | CG | CB | CA | 154.8° | 180.0° |
| CD | CG | CB | H6 | 84.5° | 60.0° |
| CD | CG | CB | H7 | 34.1° | 59.9° |
| CD | CG | H8 | H9 | 119.4° | 120.0° |
| CG | CD | H10 | H11 | 118.5° | 120.0° |
| CG | CD | NE | H12 | 2.1° | 0.0° |
| NH2 | CZ | NE | H12 | 3.2° | 179.9° |
| NH2 | CZ | NH1 | H15 | 103.0° | 180.0° |
| CZ | NE | CD | H10 | 57.4° | 60.0° |
| CZ | NE | CD | H11 | 61.6° | 60.0° |
| NE | CZ | NH2 | H13 | 0.0° | 0.1° |
| NE | CZ | NH1 | H15 | 77.4° | 0.1° |
| OA1 | C | CA | CB | 60.7° | 100.0° |
| OA1 | C | CA | OA2 | 179.5° | 179.9° |
| OA1 | C | CA | N | 179.6° | 20.1° |
| OA1 | C | OA2 | H1 | 0.0° | 0.0° |
| OA1 | C | CA | H2 | 59.8° | 140.1° |
| CG | CB | CA | H6 | 120.6° | 120.0° |
| CG | CB | CA | H7 | 120.7° | 120.1° |
| CG | CB | CA | C | 178.7° | 175.0° |
| CG | CB | CA | N | 61.8° | 64.9° |
| CG | CB | CA | H2 | 58.1° | 55.1° |
| CG | CB | H6 | H7 | 117.9° | 120.0° |
| CB | CG | H8 | H9 | 119.4° | 120.0° |
| CB | CG | CD | H10 | 165.5° | 60.0° |
| CB | CG | CD | H11 | 75.5° | 59.9° |
| CB | CA | C | N | 118.8° | 120.1° |
| CB | CA | C | H2 | 120.5° | 119.9° |
| CB | CA | C | OA2 | 119.7° | 79.9° |
| CB | CA | N | H2 | 119.3° | 119.9° |
| CB | CA | N | H3 | 180.0° | 176.0° |
| CB | CA | N | H4 | 60.0° | 60.0° |
| CA | CB | H6 | H7 | 118.0° | 120.0° |
| CA | CB | CG | H8 | 34.6° | 60.0° |
| CA | CB | CG | H9 | 85.0° | 59.9° |
| C | CA | N | H2 | 120.2° | 120.0° |
| CA | C | OA2 | H1 | 179.5° | 180.0° |
| C | CA | N | H3 | 59.6° | 63.9° |
| C | CA | N | H4 | 60.4° | 60.0° |
| C | CA | CB | H6 | 58.1° | 65.0° |
| C | CA | CB | H7 | 60.6° | 54.9° |
| OA2 | C | CA | N | 0.9° | 160.0° |
| OA2 | C | CA | H2 | 119.7° | 40.0° |
| CA | N | H3 | H4 | 120.0° | 124.0° |
| N | CA | CB | H6 | 177.6° | 55.1° |
| N | CA | CB | H7 | 58.9° | 175.0° |
| H2 | CA | N | H3 | 60.7° | 56.1° |
| H2 | CA | N | H4 | 179.3° | 180.0° |
| H2 | CA | CB | H6 | 62.6° | 175.1° |
| H2 | CA | CB | H7 | 178.7° | 65.0° |
| H6 | CB | CG | H8 | 155.3° | 180.0° |
| H6 | CB | CG | H9 | 35.7° | 60.1° |
| H7 | CB | CG | H8 | 86.1° | 60.1° |
| H7 | CB | CG | H9 | 154.3° | 180.0° |
| H8 | CG | CD | H10 | 45.3° | 180.0° |
| H8 | CG | CD | H11 | 164.3° | 60.1° |
| H9 | CG | CD | H10 | 74.3° | 60.0° |
| H9 | CG | CD | H11 | 44.7° | 180.0° |
| H10 | CD | NE | H12 | 122.6° | 120.0° |
| H11 | CD | NE | H12 | 118.4° | 120.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
