KPF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 73.18Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.56Å | |
| CD | CE | sing | 1.53Å | 1.54Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.46Å | 1.47Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NZ | CI | doub | 1.28Å | 1.36Å | |
| CK | CI | sing | 1.51Å | 1.53Å | |
| CI | CL | sing | 1.48Å | 1.51Å | |
| FAF | CK | sing | 1.40Å | 1.25Å | |
| CK | HK | sing | 1.09Å | 1.10Å | |
| CK | HKA | sing | 1.09Å | 1.10Å | |
| CL | OL2 | doub | 1.21Å | 1.23Å | |
| CL | OL1 | sing | 1.35Å | 1.26Å | |
| OL1 | HOL1 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 121.0° | 120.0° |
| CA | C | OXT | 125.3° | 120.0° |
| C | CA | N | 102.2° | 109.5° |
| C | CA | CB | 110.0° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| O | C | OXT | 112.8° | 120.0° |
| C | OXT | HXT | 90.0° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 115.3° | 109.4° |
| N | CA | HA | 110.4° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | CG | 110.7° | 109.5° |
| CA | CB | HB | 109.2° | 109.5° |
| CA | CB | HBA | 109.2° | 109.4° |
| CG | CB | HB | 109.2° | 109.5° |
| CG | CB | HBA | 109.1° | 109.5° |
| CB | CG | CD | 106.7° | 109.5° |
| CB | CG | HG | 110.1° | 109.5° |
| CB | CG | HGA | 110.1° | 109.5° |
| HB | CB | HBA | 109.5° | 109.4° |
| CG | CD | CE | 108.8° | 109.5° |
| CG | CD | HD | 109.6° | 109.5° |
| CG | CD | HDA | 109.7° | 109.5° |
| CD | CG | HG | 110.1° | 109.5° |
| CD | CG | HGA | 110.2° | 109.5° |
| CE | CD | HD | 109.6° | 109.5° |
| CE | CD | HDA | 109.6° | 109.5° |
| CD | CE | NZ | 111.4° | 109.5° |
| CD | CE | HE | 109.0° | 109.5° |
| CD | CE | HEA | 109.0° | 109.5° |
| HD | CD | HDA | 109.5° | 109.5° |
| NZ | CE | HE | 109.0° | 109.4° |
| NZ | CE | HEA | 109.0° | 109.5° |
| CE | NZ | CI | 126.6° | 120.0° |
| HE | CE | HEA | 109.5° | 109.5° |
| HG | CG | HGA | 109.5° | 109.5° |
| NZ | CI | CK | 129.1° | 120.0° |
| NZ | CI | CL | 116.2° | 120.0° |
| CK | CI | CL | 114.0° | 120.0° |
| CI | CK | FAF | 112.9° | 109.5° |
| CI | CK | HK | 108.6° | 109.5° |
| CI | CK | HKA | 108.6° | 109.5° |
| CI | CL | OL2 | 116.3° | 120.0° |
| CI | CL | OL1 | 119.6° | 120.0° |
| FAF | CK | HK | 108.6° | 109.5° |
| FAF | CK | HKA | 108.6° | 109.5° |
| HK | CK | HKA | 109.5° | 109.4° |
| OL2 | CL | OL1 | 123.5° | 120.0° |
| CL | OL1 | HOL1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 169.5° | 179.7° |
| C | CA | N | CB | 119.3° | 120.0° |
| C | CA | N | HA | 116.4° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | HA | 120.2° | 120.0° |
| C | CA | CB | CG | 60.1° | 175.0° |
| C | CA | CB | HB | 179.7° | 65.0° |
| C | CA | CB | HBA | 60.1° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 179.7° |
| O | C | CA | N | 71.9° | 20.0° |
| O | C | CA | CB | 51.1° | 100.0° |
| O | C | CA | HA | 171.1° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| OXT | C | CA | N | 120.0° | 160.3° |
| OXT | C | CA | CB | 117.0° | 79.7° |
| OXT | C | CA | HA | 3.0° | 40.3° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 124.9° | 119.9° |
| N | CA | CB | CG | 174.9° | 65.0° |
| N | CA | CB | HB | 64.9° | 55.1° |
| N | CA | CB | HBA | 54.8° | 175.0° |
| H | N | CA | CB | 60.8° | 60.1° |
| H | N | CA | HA | 63.6° | 180.0° |
| H2 | N | CA | CB | 179.3° | 63.9° |
| H2 | N | CA | HA | 56.4° | 56.0° |
| CA | CB | CG | HB | 120.2° | 120.0° |
| CA | CB | CG | HBA | 120.2° | 120.0° |
| CA | CB | HB | HBA | 119.4° | 119.9° |
| CA | CB | CG | CD | 179.1° | 180.0° |
| CA | CB | CG | HG | 61.3° | 60.0° |
| CA | CB | CG | HGA | 59.6° | 60.0° |
| HA | CA | CB | CG | 60.1° | 55.0° |
| HA | CA | CB | HB | 60.1° | 175.0° |
| HA | CA | CB | HBA | 179.7° | 65.1° |
| CG | CB | HB | HBA | 119.4° | 120.0° |
| CB | CG | CD | HG | 119.6° | 120.0° |
| CB | CG | CD | HGA | 119.5° | 120.0° |
| CB | CG | CD | CE | 176.2° | 180.0° |
| CB | CG | CD | HD | 64.0° | 60.0° |
| CB | CG | CD | HDA | 56.3° | 60.0° |
| CB | CG | HG | HGA | 121.2° | 120.0° |
| HB | CB | CG | CD | 59.0° | 60.0° |
| HB | CB | CG | HG | 178.5° | 180.0° |
| HB | CB | CG | HGA | 60.6° | 60.0° |
| HBA | CB | CG | CD | 60.7° | 60.0° |
| HBA | CB | CG | HG | 58.9° | 60.0° |
| HBA | CB | CG | HGA | 179.7° | 180.0° |
| CG | CD | CE | HD | 119.9° | 120.0° |
| CG | CD | CE | HDA | 119.9° | 120.0° |
| CG | CD | HD | HDA | 120.3° | 120.0° |
| CG | CD | CE | NZ | 168.2° | 180.0° |
| CG | CD | CE | HE | 47.9° | 60.0° |
| CG | CD | CE | HEA | 71.5° | 60.0° |
| CD | CG | HG | HGA | 121.3° | 120.0° |
| CE | CD | HD | HDA | 120.3° | 120.0° |
| CD | CE | NZ | HE | 120.3° | 120.0° |
| CD | CE | NZ | HEA | 120.3° | 120.0° |
| CD | CE | HE | HEA | 119.1° | 120.0° |
| CE | CD | CG | HG | 56.6° | 60.0° |
| CE | CD | CG | HGA | 64.3° | 60.0° |
| CD | CE | NZ | CI | 178.9° | 114.8° |
| HD | CD | CE | NZ | 71.9° | 60.0° |
| HD | CD | CE | HE | 167.8° | 60.0° |
| HD | CD | CE | HEA | 48.4° | 180.0° |
| HD | CD | CG | HG | 176.5° | 60.0° |
| HD | CD | CG | HGA | 55.6° | 180.0° |
| HDA | CD | CE | NZ | 48.3° | 60.0° |
| HDA | CD | CE | HE | 72.0° | 180.0° |
| HDA | CD | CE | HEA | 168.6° | 60.0° |
| HDA | CD | CG | HG | 63.3° | 180.0° |
| HDA | CD | CG | HGA | 175.8° | 60.0° |
| NZ | CE | HE | HEA | 119.1° | 120.0° |
| CE | NZ | CI | CK | 16.3° | 5.3° |
| CE | NZ | CI | CL | 173.6° | 174.8° |
| HE | CE | NZ | CI | 60.8° | 5.2° |
| HEA | CE | NZ | CI | 58.6° | 125.1° |
| NZ | CI | CK | CL | 170.3° | 180.0° |
| NZ | CI | CK | FAF | 14.2° | 179.6° |
| NZ | CI | CK | HK | 106.3° | 59.6° |
| NZ | CI | CK | HKA | 134.7° | 60.4° |
| NZ | CI | CL | OL2 | 8.2° | 180.0° |
| NZ | CI | CL | OL1 | 179.5° | 0.0° |
| CI | CK | FAF | HK | 120.5° | 120.0° |
| CI | CK | FAF | HKA | 120.5° | 120.0° |
| CI | CK | HK | HKA | 118.4° | 120.0° |
| CK | CI | CL | OL2 | 179.9° | 0.0° |
| CK | CI | CL | OL1 | 8.8° | 180.0° |
| CL | CI | CK | FAF | 175.5° | 0.4° |
| CL | CI | CK | HK | 64.0° | 120.4° |
| CL | CI | CK | HKA | 55.0° | 119.7° |
| CI | CL | OL2 | OL1 | 170.9° | 180.0° |
| CI | CL | OL1 | HOL1 | 170.7° | 180.0° |
| FAF | CK | HK | HKA | 118.4° | 120.0° |
| OL2 | CL | OL1 | HOL1 | 0.0° | 0.0° |
