KPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.35Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CD | CE | sing | 1.53Å | 1.56Å | |
| CE | NZ | sing | 1.46Å | 1.47Å | |
| NZ | CX1 | doub | 1.28Å | 1.29Å | |
| CX1 | C1 | sing | 1.51Å | 1.49Å | |
| CX1 | CX2 | sing | 1.48Å | 1.49Å | |
| CX2 | O1 | sing | 1.35Å | 1.29Å | |
| CX2 | O2 | doub | 1.21Å | 1.28Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CA | 116.5° | 120.0° |
| OXT | C | O | 123.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.1° |
| N | CA | CB | 109.1° | 109.5° |
| N | CA | C | 106.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.8° | 109.5° |
| CB | CA | C | 110.5° | 109.5° |
| CA | CB | CG | 112.4° | 109.4° |
| CB | CA | HA | 110.0° | 109.5° |
| CA | CB | HB | 108.7° | 109.5° |
| CA | CB | HBA | 108.8° | 109.5° |
| CA | C | O | 120.1° | 120.0° |
| C | CA | HA | 110.2° | 109.4° |
| CB | CG | CD | 107.7° | 109.4° |
| CG | CB | HB | 108.8° | 109.5° |
| CG | CB | HBA | 108.7° | 109.5° |
| CB | CG | HG | 109.9° | 109.5° |
| CB | CG | HGA | 109.9° | 109.5° |
| CG | CD | CE | 107.1° | 109.5° |
| CD | CG | HG | 109.9° | 109.5° |
| CD | CG | HGA | 109.9° | 109.5° |
| CG | CD | HD | 110.1° | 109.5° |
| CG | CD | HDA | 110.1° | 109.5° |
| CD | CE | NZ | 107.6° | 109.5° |
| CE | CD | HD | 110.0° | 109.5° |
| CE | CD | HDA | 110.1° | 109.5° |
| CD | CE | HE | 109.9° | 109.5° |
| CD | CE | HEA | 109.9° | 109.5° |
| CE | NZ | CX1 | 127.8° | 120.0° |
| NZ | CE | HE | 109.9° | 109.5° |
| NZ | CE | HEA | 109.9° | 109.5° |
| NZ | CX1 | C1 | 118.2° | 119.9° |
| NZ | CX1 | CX2 | 120.0° | 120.0° |
| C1 | CX1 | CX2 | 121.8° | 120.0° |
| CX1 | C1 | H1C | 109.5° | 109.5° |
| CX1 | C1 | H1A | 109.5° | 109.4° |
| CX1 | C1 | H1B | 109.5° | 109.5° |
| CX1 | CX2 | O1 | 121.1° | 119.9° |
| CX1 | CX2 | O2 | 116.8° | 120.0° |
| O1 | CX2 | O2 | 122.1° | 120.1° |
| CX2 | O1 | HO1 | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB | CB | HBA | 109.5° | 109.5° |
| HG | CG | HGA | 109.5° | 109.5° |
| HD | CD | HDA | 109.5° | 109.5° |
| HE | CE | HEA | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | N | 107.0° | 160.0° |
| OXT | C | CA | CB | 134.8° | 80.0° |
| OXT | C | CA | O | 178.9° | 180.0° |
| OXT | C | CA | HA | 13.1° | 40.0° |
| N | CA | CB | C | 116.4° | 120.0° |
| N | CA | CB | HA | 121.7° | 120.1° |
| N | CA | C | HA | 120.1° | 120.0° |
| N | CA | CB | CG | 179.4° | 65.0° |
| N | CA | C | O | 71.9° | 20.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB | 59.0° | 55.0° |
| N | CA | CB | HBA | 60.1° | 175.0° |
| CB | CA | C | HA | 121.8° | 120.0° |
| CA | CB | CG | HB | 120.4° | 120.0° |
| CA | CB | CG | HBA | 120.4° | 120.0° |
| CA | CB | CG | CD | 179.3° | NaN° |
| CB | CA | C | O | 46.3° | 100.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | HB | HBA | 118.7° | 120.0° |
| CA | CB | CG | HG | 59.6° | 60.0° |
| CA | CB | CG | HGA | 61.0° | 60.0° |
| C | CA | CB | CG | 64.1° | 175.0° |
| CA | C | OXT | HXT | 178.8° | 180.0° |
| C | CA | N | H | 60.9° | 60.0° |
| C | CA | N | H2 | 59.1° | 176.1° |
| C | CA | CB | HB | 175.4° | 65.0° |
| C | CA | CB | HBA | 56.3° | 55.0° |
| CB | CG | CD | HG | 119.7° | 120.0° |
| CB | CG | CD | HGA | 119.7° | 120.0° |
| CB | CG | CD | CE | 174.0° | 180.0° |
| CG | CB | CA | HA | 57.8° | 55.0° |
| CG | CB | HB | HBA | 118.6° | 120.0° |
| CB | CG | HG | HGA | 120.8° | 120.0° |
| CB | CG | CD | HD | 66.4° | 60.0° |
| CB | CG | CD | HDA | 54.4° | 60.0° |
| CG | CD | CE | HD | 119.6° | 120.0° |
| CG | CD | CE | HDA | 119.6° | 120.0° |
| CG | CD | CE | NZ | 170.9° | 180.0° |
| CD | CG | CB | HB | 60.3° | 60.0° |
| CD | CG | CB | HBA | 58.8° | 60.0° |
| CD | CG | HG | HGA | 120.8° | 120.0° |
| CG | CD | HD | HDA | 121.1° | 120.0° |
| CG | CD | CE | HE | 51.2° | 60.0° |
| CG | CD | CE | HEA | 69.4° | 60.0° |
| CD | CE | NZ | HE | 119.7° | 120.0° |
| CD | CE | NZ | HEA | 119.7° | 120.0° |
| CD | CE | NZ | CX1 | 167.2° | 114.7° |
| CE | CD | CG | HG | 54.3° | 60.0° |
| CE | CD | CG | HGA | 66.3° | 60.0° |
| CE | CD | HD | HDA | 121.1° | 120.0° |
| CD | CE | HE | HEA | 120.8° | 120.0° |
| CE | NZ | CX1 | C1 | 5.0° | 6.3° |
| CE | NZ | CX1 | CX2 | 176.8° | 173.7° |
| NZ | CE | CD | HD | 69.5° | 60.0° |
| NZ | CE | CD | HDA | 51.3° | 60.0° |
| NZ | CE | HE | HEA | 120.9° | 120.0° |
| NZ | CX1 | C1 | CX2 | 178.2° | 180.0° |
| NZ | CX1 | CX2 | O1 | 172.5° | 0.1° |
| NZ | CX1 | CX2 | O2 | 6.7° | 180.0° |
| CX1 | NZ | CE | HE | 73.1° | 5.3° |
| CX1 | NZ | CE | HEA | 47.5° | 125.3° |
| NZ | CX1 | C1 | H1C | 180.0° | 85.2° |
| NZ | CX1 | C1 | H1A | 60.0° | 154.8° |
| NZ | CX1 | C1 | H1B | 60.0° | 34.9° |
| C1 | CX1 | CX2 | O1 | 9.3° | 180.0° |
| C1 | CX1 | CX2 | O2 | 171.4° | 0.0° |
| CX1 | C1 | H1C | H1A | 120.0° | 119.9° |
| CX1 | C1 | H1C | H1B | 120.0° | 120.1° |
| CX1 | C1 | H1A | H1B | 120.0° | 120.0° |
| CX1 | CX2 | O1 | O2 | 179.2° | 180.0° |
| CX2 | CX1 | C1 | H1C | 1.8° | 94.8° |
| CX2 | CX1 | C1 | H1A | 121.8° | 25.1° |
| CX2 | CX1 | C1 | H1B | 118.2° | 145.1° |
| CX1 | CX2 | O1 | HO1 | 179.2° | 180.0° |
| O2 | CX2 | O1 | HO1 | 0.0° | 0.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | HA | 168.1° | 140.0° |
| H | N | CA | HA | 58.8° | 180.0° |
| H2 | N | CA | HA | 178.8° | 56.1° |
| HA | CA | CB | HB | 62.7° | 175.1° |
| HA | CA | CB | HBA | 178.2° | 65.0° |
| HB | CB | CG | HG | 180.0° | 180.0° |
| HB | CB | CG | HGA | 59.4° | 60.0° |
| HBA | CB | CG | HG | 60.9° | 60.0° |
| HBA | CB | CG | HGA | 178.5° | 180.0° |
| HG | CG | CD | HD | 173.9° | 180.0° |
| HG | CG | CD | HDA | 65.4° | 60.0° |
| HGA | CG | CD | HD | 53.3° | 60.0° |
| HGA | CG | CD | HDA | 174.1° | 180.0° |
| HD | CD | CE | HE | 170.8° | 180.0° |
| HD | CD | CE | HEA | 50.2° | 60.0° |
| HDA | CD | CE | HE | 68.5° | 60.0° |
| HDA | CD | CE | HEA | 171.0° | 180.0° |
| H1C | C1 | H1A | H1B | 120.0° | 120.1° |
