2KJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| OA2 | C | doub | 1.21Å | 1.24Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C | OA1 | sing | 1.34Å | 1.24Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| NE | CD | sing | 1.46Å | 1.46Å | |
| NE | CZ | sing | 1.37Å | 1.34Å | |
| NH2 | CZ | doub | 1.30Å | 1.27Å | |
| CZ | NH1 | sing | 1.37Å | 1.34Å | |
| NH1 | OH | sing | 1.42Å | 1.43Å | |
| OH | C2 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| 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 | |
| NE | H12 | sing | 0.97Å | 1.00Å | |
| NH2 | H13 | sing | 0.97Å | 1.00Å | |
| NH1 | H15 | sing | 0.97Å | 1.00Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 108.7° | 109.5° |
| N | CA | CB | 109.5° | 109.5° |
| N | CA | H2 | 110.0° | 109.4° |
| CA | N | H3 | 109.5° | 110.9° |
| CA | N | H4 | 109.5° | 111.0° |
| OA2 | C | CA | 120.3° | 120.0° |
| OA2 | C | OA1 | 119.0° | 120.0° |
| C | CA | CB | 110.3° | 109.5° |
| CA | C | OA1 | 120.7° | 120.0° |
| C | CA | H2 | 109.3° | 109.5° |
| CA | CB | CG | 107.7° | 109.4° |
| CB | CA | H2 | 109.0° | 109.5° |
| CA | CB | H6 | 109.9° | 109.5° |
| CA | CB | H7 | 109.9° | 109.4° |
| C | OA1 | H1 | 109.5° | 117.0° |
| CB | CG | CD | 110.4° | 109.5° |
| CG | CB | H6 | 109.9° | 109.4° |
| CG | CB | H7 | 109.9° | 109.5° |
| CB | CG | H8 | 109.3° | 109.5° |
| CB | CG | H9 | 109.2° | 109.5° |
| CG | CD | NE | 114.1° | 109.5° |
| CD | CG | H8 | 109.2° | 109.5° |
| CD | CG | H9 | 109.3° | 109.5° |
| CG | CD | H10 | 108.3° | 109.5° |
| CG | CD | H11 | 108.3° | 109.5° |
| CD | NE | CZ | 119.4° | 120.1° |
| NE | CD | H10 | 108.3° | 109.5° |
| NE | CD | H11 | 108.3° | 109.4° |
| CD | NE | H12 | 120.3° | 120.0° |
| NE | CZ | NH2 | 119.8° | 120.0° |
| NE | CZ | NH1 | 117.7° | 120.0° |
| CZ | NE | H12 | 120.3° | 120.0° |
| NH2 | CZ | NH1 | 122.5° | 120.0° |
| CZ | NH2 | H13 | 112.0° | 120.0° |
| CZ | NH1 | OH | 123.2° | 120.1° |
| CZ | NH1 | H15 | 118.4° | 120.0° |
| NH1 | OH | C2 | 120.0° | 114.0° |
| OH | NH1 | H15 | 118.4° | 120.0° |
| OH | C2 | C1 | 110.9° | 109.5° |
| OH | C2 | H16 | 109.1° | 109.5° |
| OH | C2 | H17 | 109.1° | 109.5° |
| C1 | C2 | H16 | 109.1° | 109.4° |
| C1 | C2 | H17 | 109.1° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| H3 | N | H4 | 109.5° | 111.1° |
| H6 | CB | H7 | 109.5° | 109.6° |
| H8 | CG | H9 | 109.5° | 109.5° |
| H10 | CD | H11 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.4° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.4° |
| H18 | C1 | H20 | 109.4° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | OA2 | 1.8° | 20.0° |
| N | CA | C | CB | 120.1° | 120.0° |
| N | CA | C | H2 | 120.1° | 119.9° |
| N | CA | CB | H2 | 120.4° | 120.0° |
| N | CA | C | OA1 | 178.4° | 159.7° |
| N | CA | CB | CG | 69.3° | 65.0° |
| CA | N | H3 | H4 | 120.0° | 124.0° |
| N | CA | CB | H6 | 50.4° | 55.0° |
| N | CA | CB | H7 | 170.9° | 175.1° |
| OA2 | C | CA | OA1 | 179.8° | 179.7° |
| OA2 | C | CA | CB | 121.9° | 100.0° |
| OA2 | C | OA1 | H1 | 0.0° | 0.0° |
| OA2 | C | CA | H2 | 118.3° | 140.0° |
| C | CA | CB | H2 | 120.0° | 120.0° |
| C | CA | CB | CG | 171.1° | 175.0° |
| CA | C | OA1 | H1 | 179.8° | 179.7° |
| C | CA | N | H3 | 180.0° | 60.0° |
| C | CA | N | H4 | 60.0° | 176.0° |
| C | CA | CB | H6 | 69.2° | 65.0° |
| C | CA | CB | H7 | 51.4° | 55.0° |
| CB | CA | C | OA1 | 58.3° | 80.3° |
| CA | CB | CG | H6 | 119.7° | 120.0° |
| CA | CB | CG | H7 | 119.7° | 119.9° |
| CA | CB | CG | CD | 156.3° | 180.0° |
| CB | CA | N | H3 | 59.4° | 60.0° |
| CB | CA | N | H4 | 179.5° | 64.0° |
| CA | CB | H6 | H7 | 120.8° | 120.0° |
| CA | CB | CG | H8 | 83.6° | 60.0° |
| CA | CB | CG | H9 | 36.1° | 60.0° |
| OA1 | C | CA | H2 | 61.5° | 39.7° |
| CB | CG | CD | H8 | 120.2° | 120.0° |
| CB | CG | CD | H9 | 120.1° | 120.0° |
| CB | CG | CD | NE | 40.9° | 180.0° |
| CG | CB | CA | H2 | 51.1° | 55.0° |
| CG | CB | H6 | H7 | 120.8° | 120.1° |
| CB | CG | H8 | H9 | 119.6° | 120.1° |
| CB | CG | CD | H10 | 79.7° | 60.0° |
| CB | CG | CD | H11 | 161.6° | 60.0° |
| CG | CD | NE | H10 | 120.7° | 120.0° |
| CG | CD | NE | H11 | 120.7° | 120.1° |
| CG | CD | NE | CZ | 170.2° | 180.0° |
| CD | CG | CB | H6 | 36.5° | 60.1° |
| CD | CG | CB | H7 | 84.0° | 60.0° |
| CD | CG | H8 | H9 | 119.6° | 120.0° |
| CG | CD | H10 | H11 | 117.9° | 120.0° |
| CG | CD | NE | H12 | 9.8° | 0.0° |
| CD | NE | CZ | H12 | 180.0° | 180.0° |
| CD | NE | CZ | NH2 | 170.4° | 0.0° |
| CD | NE | CZ | NH1 | 10.8° | 180.0° |
| NE | CD | CG | H8 | 161.1° | 60.0° |
| NE | CD | CG | H9 | 79.2° | 60.0° |
| NE | CD | H10 | H11 | 117.9° | 119.9° |
| NE | CZ | NH2 | NH1 | 178.8° | 180.0° |
| NE | CZ | NH1 | OH | 122.5° | 180.0° |
| CZ | NE | CD | H10 | 49.6° | 60.0° |
| CZ | NE | CD | H11 | 69.1° | 60.0° |
| NE | CZ | NH2 | H13 | 178.8° | 179.9° |
| NE | CZ | NH1 | H15 | 57.5° | 0.0° |
| NH2 | CZ | NH1 | OH | 58.7° | 0.0° |
| NH2 | CZ | NE | H12 | 9.6° | 180.0° |
| NH2 | CZ | NH1 | H15 | 121.3° | 180.0° |
| CZ | NH1 | OH | H15 | 180.0° | 180.0° |
| CZ | NH1 | OH | C2 | 148.3° | 180.0° |
| NH1 | CZ | NE | H12 | 169.2° | 0.0° |
| NH1 | CZ | NH2 | H13 | 0.0° | 0.0° |
| NH1 | OH | C2 | C1 | 78.7° | 180.0° |
| NH1 | OH | C2 | H16 | 41.6° | 60.0° |
| NH1 | OH | C2 | H17 | 161.1° | 60.0° |
| OH | C2 | C1 | H16 | 120.2° | 120.0° |
| OH | C2 | C1 | H17 | 120.2° | 120.0° |
| C2 | OH | NH1 | H15 | 31.7° | 0.0° |
| OH | C2 | H16 | H17 | 119.3° | 120.0° |
| OH | C2 | C1 | H18 | 180.0° | 180.0° |
| OH | C2 | C1 | H19 | 60.0° | 60.0° |
| OH | C2 | C1 | H20 | 60.0° | 60.0° |
| C1 | C2 | H16 | H17 | 119.3° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H20 | 120.0° | 120.0° |
| C2 | C1 | H19 | H20 | 120.0° | 120.0° |
| H2 | CA | N | H3 | 60.3° | 179.9° |
| H2 | CA | N | H4 | 59.7° | 56.1° |
| H2 | CA | CB | H6 | 170.8° | 174.9° |
| H2 | CA | CB | H7 | 68.7° | 65.0° |
| H6 | CB | CG | H8 | 156.7° | 180.0° |
| H6 | CB | CG | H9 | 83.6° | 59.9° |
| H7 | CB | CG | H8 | 36.2° | 59.9° |
| H7 | CB | CG | H9 | 155.9° | 180.0° |
| H8 | CG | CD | H10 | 40.4° | 180.0° |
| H8 | CG | CD | H11 | 78.2° | 60.0° |
| H9 | CG | CD | H10 | 160.2° | 60.0° |
| H9 | CG | CD | H11 | 41.5° | 180.0° |
| H10 | CD | NE | H12 | 130.5° | 120.0° |
| H11 | CD | NE | H12 | 110.9° | 120.1° |
| H16 | C2 | C1 | H18 | 59.7° | 60.0° |
| H16 | C2 | C1 | H19 | 179.8° | 180.0° |
| H16 | C2 | C1 | H20 | 60.2° | 60.0° |
| H17 | C2 | C1 | H18 | 59.8° | 60.0° |
| H17 | C2 | C1 | H19 | 60.2° | 60.0° |
| H17 | C2 | C1 | H20 | 179.8° | 180.0° |
| H18 | C1 | H19 | H20 | 119.9° | 120.0° |
