4JK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CH | CZ | sing | 1.51Å | 1.52Å | |
| CH | OH | sing | 1.43Å | 1.41Å | |
| CZ | NH | doub | 1.29Å | 1.34Å | |
| CZ | NE | sing | 1.37Å | 1.32Å | |
| NE | CD | sing | 1.47Å | 1.29Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C | OA2 | doub | 1.21Å | 1.25Å | |
| C | OA1 | sing | 1.34Å | 1.26Å | |
| CH | HH1C | sing | 1.09Å | 1.10Å | |
| CH | HH2C | sing | 1.09Å | 1.10Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| NH | HA | sing | 0.97Å | 1.00Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CG | HG1C | sing | 1.09Å | 1.10Å | |
| CG | HG2C | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CA | HB | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| OA1 | HA1 | sing | 0.97Å | 0.95Å | |
| NE | HNE | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CZ | CH | OH | 107.8° | 109.4° |
| CH | CZ | NH | 121.6° | 120.0° |
| CH | CZ | NE | 115.9° | 119.9° |
| CZ | CH | HH1C | 109.9° | 109.5° |
| CZ | CH | HH2C | 109.9° | 109.5° |
| OH | CH | HH1C | 109.9° | 109.4° |
| OH | CH | HH2C | 109.9° | 109.4° |
| CH | OH | HH | 109.5° | 114.0° |
| NH | CZ | NE | 122.5° | 120.0° |
| CZ | NH | HA | 112.0° | 120.0° |
| CZ | NE | CD | 124.3° | 120.0° |
| CZ | NE | HNE | 117.9° | 120.0° |
| NE | CD | CG | 117.3° | 109.5° |
| NE | CD | HD1 | 107.4° | 109.5° |
| NE | CD | HD2 | 107.5° | 109.4° |
| CD | NE | HNE | 117.9° | 120.0° |
| CD | CG | CB | 107.5° | 109.5° |
| CG | CD | HD1 | 107.5° | 109.5° |
| CG | CD | HD2 | 107.4° | 109.5° |
| CD | CG | HG1C | 110.0° | 109.5° |
| CD | CG | HG2C | 109.9° | 109.5° |
| CG | CB | CA | 112.6° | 109.5° |
| CB | CG | HG1C | 110.0° | 109.4° |
| CB | CG | HG2C | 110.0° | 109.5° |
| CG | CB | HB1C | 108.7° | 109.5° |
| CG | CB | HB2C | 108.7° | 109.4° |
| CB | CA | C | 106.9° | 109.5° |
| CB | CA | N | 113.6° | 109.5° |
| CA | CB | HB1C | 108.7° | 109.5° |
| CA | CB | HB2C | 108.7° | 109.5° |
| CB | CA | HB | 107.9° | 109.5° |
| C | CA | N | 111.5° | 109.5° |
| CA | C | OA2 | 118.8° | 120.0° |
| CA | C | OA1 | 120.7° | 120.0° |
| C | CA | HB | 108.0° | 109.5° |
| N | CA | HB | 108.8° | 109.5° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| OA2 | C | OA1 | 120.5° | 120.1° |
| C | OA1 | HA1 | 109.5° | 117.0° |
| HH1C | CH | HH2C | 109.5° | 109.5° |
| HD1 | CD | HD2 | 109.5° | 109.4° |
| HG1C | CG | HG2C | 109.4° | 109.4° |
| HB1C | CB | HB2C | 109.5° | 109.4° |
| HN1 | N | HN2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CZ | CH | OH | HH1C | 119.7° | 120.0° |
| CZ | CH | OH | HH2C | 119.7° | 120.0° |
| CH | CZ | NH | NE | 178.5° | 180.0° |
| CH | CZ | NE | CD | 27.9° | 180.0° |
| CZ | CH | HH1C | HH2C | 120.7° | 120.1° |
| CZ | CH | OH | HH | 180.0° | 180.0° |
| CH | CZ | NH | HA | 178.5° | 180.0° |
| CH | CZ | NE | HNE | 152.1° | 0.0° |
| OH | CH | CZ | NH | 10.7° | 0.0° |
| OH | CH | CZ | NE | 170.7° | 180.0° |
| OH | CH | HH1C | HH2C | 120.8° | 120.0° |
| NH | CZ | NE | CD | 153.5° | 0.0° |
| NH | CZ | CH | HH1C | 130.5° | 119.9° |
| NH | CZ | CH | HH2C | 109.0° | 120.0° |
| NH | CZ | NE | HNE | 26.4° | 180.0° |
| CZ | NE | CD | HNE | 180.0° | 180.0° |
| CZ | NE | CD | CG | 169.3° | 180.0° |
| NE | CZ | CH | HH1C | 50.9° | 60.1° |
| NE | CZ | CH | HH2C | 69.6° | 60.0° |
| NE | CZ | NH | HA | 0.0° | 0.0° |
| CZ | NE | CD | HD1 | 69.5° | 59.9° |
| CZ | NE | CD | HD2 | 48.2° | 60.0° |
| NE | CD | CG | HD1 | 121.1° | 120.0° |
| NE | CD | CG | HD2 | 121.1° | 120.0° |
| NE | CD | CG | CB | 81.8° | 180.0° |
| NE | CD | HD1 | HD2 | 116.4° | 119.9° |
| NE | CD | CG | HG1C | 37.9° | 60.0° |
| NE | CD | CG | HG2C | 158.5° | 60.0° |
| CD | CG | CB | HG1C | 119.7° | 120.0° |
| CD | CG | CB | HG2C | 119.7° | 120.0° |
| CD | CG | CB | CA | 159.4° | 180.0° |
| CG | CD | HD1 | HD2 | 116.4° | 120.0° |
| CD | CG | HG1C | HG2C | 120.9° | 120.0° |
| CD | CG | CB | HB1C | 80.1° | 59.9° |
| CD | CG | CB | HB2C | 38.9° | 60.0° |
| CG | CD | NE | HNE | 10.7° | 0.0° |
| CG | CB | CA | HB1C | 120.5° | 120.0° |
| CG | CB | CA | HB2C | 120.5° | 120.0° |
| CG | CB | CA | C | 179.0° | 175.0° |
| CG | CB | CA | N | 55.7° | 65.0° |
| CB | CG | CD | HD1 | 157.1° | 60.0° |
| CB | CG | CD | HD2 | 39.3° | 60.0° |
| CB | CG | HG1C | HG2C | 120.9° | 120.0° |
| CG | CB | HB1C | HB2C | 118.6° | 119.9° |
| CG | CB | CA | HB | 65.0° | 55.0° |
| CB | CA | C | N | 124.7° | 120.0° |
| CB | CA | C | HB | 115.9° | 120.0° |
| CB | CA | N | HB | 120.2° | 120.0° |
| CB | CA | C | OA2 | 120.6° | 100.0° |
| CB | CA | C | OA1 | 57.4° | 80.0° |
| CA | CB | CG | HG1C | 39.7° | 59.9° |
| CA | CB | CG | HG2C | 80.9° | 60.0° |
| CA | CB | HB1C | HB2C | 118.6° | 120.0° |
| CB | CA | N | HN1 | 180.0° | 60.0° |
| CB | CA | N | HN2 | 60.0° | 64.0° |
| C | CA | N | HB | 119.0° | 120.0° |
| CA | C | OA2 | OA1 | 178.0° | 180.0° |
| C | CA | CB | HB1C | 60.5° | 55.0° |
| C | CA | CB | HB2C | 58.5° | 65.0° |
| C | CA | N | HN1 | 59.2° | 60.0° |
| C | CA | N | HN2 | 60.8° | 176.0° |
| CA | C | OA1 | HA1 | 177.9° | 180.0° |
| N | CA | C | OA2 | 4.1° | 20.0° |
| N | CA | C | OA1 | 178.0° | 160.0° |
| N | CA | CB | HB1C | 176.1° | 175.0° |
| N | CA | CB | HB2C | 64.8° | 55.0° |
| CA | N | HN1 | HN2 | 120.0° | 123.9° |
| OA2 | C | CA | HB | 123.5° | 140.0° |
| OA2 | C | OA1 | HA1 | 0.0° | 0.0° |
| OA1 | C | CA | HB | 58.5° | 40.0° |
| HH1C | CH | OH | HH | 60.3° | 60.0° |
| HH2C | CH | OH | HH | 60.3° | 60.0° |
| HD1 | CD | CG | HG1C | 83.2° | 180.0° |
| HD1 | CD | CG | HG2C | 37.4° | 60.1° |
| HD1 | CD | NE | HNE | 110.5° | 120.0° |
| HD2 | CD | CG | HG1C | 159.0° | 60.0° |
| HD2 | CD | CG | HG2C | 80.4° | 180.0° |
| HD2 | CD | NE | HNE | 131.8° | 120.1° |
| HG1C | CG | CB | HB1C | 160.1° | 180.0° |
| HG1C | CG | CB | HB2C | 80.8° | 60.1° |
| HG2C | CG | CB | HB1C | 39.6° | 60.1° |
| HG2C | CG | CB | HB2C | 158.6° | 180.0° |
| HB1C | CB | CA | HB | 55.5° | 65.0° |
| HB2C | CB | CA | HB | 174.5° | 175.0° |
| HB | CA | N | HN1 | 59.8° | 180.0° |
| HB | CA | N | HN2 | 179.8° | 56.1° |
