POK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CMA | sing | 1.51Å | 1.52Å | |
| CAA | NH2 | sing | 1.47Å | 1.49Å | |
| OMB | CMA | doub | 1.21Å | 1.22Å | |
| NH1 | CZ | doub | 1.30Å | 1.39Å | |
| CMA | OMA | sing | 1.34Å | 1.34Å | |
| NH2 | CZ | sing | 1.37Å | 1.40Å | |
| CZ | NE | sing | 1.37Å | 1.37Å | |
| NE | CD | sing | 1.47Å | 1.49Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.08Å | |
| 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 | |
| NH1 | H13 | sing | 0.97Å | 1.00Å | |
| NH2 | H14 | sing | 0.97Å | 1.00Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| OMA | H17 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CMA | CAA | NH2 | 112.1° | 109.5° |
| CAA | CMA | OMB | 126.8° | 120.0° |
| CAA | CMA | OMA | 113.7° | 120.0° |
| CMA | CAA | H15 | 108.8° | 109.5° |
| CMA | CAA | H16 | 108.8° | 109.5° |
| CAA | NH2 | CZ | 123.4° | 120.0° |
| CAA | NH2 | H14 | 118.4° | 120.0° |
| NH2 | CAA | H15 | 108.8° | 109.4° |
| NH2 | CAA | H16 | 108.8° | 109.5° |
| OMB | CMA | OMA | 119.5° | 120.0° |
| NH1 | CZ | NH2 | 119.3° | 120.0° |
| NH1 | CZ | NE | 120.6° | 120.0° |
| CZ | NH1 | H13 | 112.0° | 120.0° |
| CMA | OMA | H17 | 109.5° | 117.0° |
| NH2 | CZ | NE | 120.1° | 120.0° |
| CZ | NH2 | H14 | 118.3° | 120.0° |
| CZ | NE | CD | 123.1° | 120.0° |
| CZ | NE | H12 | 118.5° | 120.0° |
| NE | CD | CG | 112.3° | 109.5° |
| NE | CD | H10 | 108.7° | 109.4° |
| NE | CD | H11 | 108.8° | 109.5° |
| CD | NE | H12 | 118.4° | 120.0° |
| CD | CG | CB | 106.9° | 109.4° |
| CD | CG | H8 | 110.1° | 109.5° |
| CD | CG | H9 | 110.1° | 109.4° |
| CG | CD | H10 | 108.7° | 109.5° |
| CG | CD | H11 | 108.8° | 109.5° |
| CG | CB | CA | 115.5° | 109.5° |
| CG | CB | H6 | 107.9° | 109.5° |
| CG | CB | H7 | 107.9° | 109.4° |
| CB | CG | H8 | 110.1° | 109.5° |
| CB | CG | H9 | 110.1° | 109.5° |
| CB | CA | C | 110.7° | 109.5° |
| CB | CA | N | 110.6° | 109.5° |
| CB | CA | HA | 108.7° | 109.5° |
| CA | CB | H6 | 107.9° | 109.5° |
| CA | CB | H7 | 108.0° | 109.5° |
| O | C | CA | 121.5° | 120.0° |
| O | C | OXT | 119.3° | 120.0° |
| C | CA | N | 108.5° | 109.5° |
| C | CA | HA | 108.7° | 109.4° |
| CA | C | OXT | 119.2° | 120.0° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | HA | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.5° | 109.4° |
| H10 | CD | H11 | 109.4° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CMA | CAA | NH2 | H15 | 120.4° | 120.0° |
| CMA | CAA | NH2 | H16 | 120.4° | 120.0° |
| CAA | CMA | OMB | OMA | 179.8° | 180.0° |
| CMA | CAA | NH2 | CZ | 63.1° | 179.9° |
| CMA | CAA | NH2 | H14 | 116.9° | 0.0° |
| CMA | CAA | H15 | H16 | 118.8° | 120.0° |
| CAA | CMA | OMA | H17 | 179.9° | 180.0° |
| NH2 | CAA | CMA | OMB | 127.4° | 0.0° |
| CAA | NH2 | CZ | NH1 | 0.9° | 0.1° |
| NH2 | CAA | CMA | OMA | 52.4° | 180.0° |
| CAA | NH2 | CZ | H14 | 180.0° | 179.9° |
| CAA | NH2 | CZ | NE | 179.7° | 180.0° |
| NH2 | CAA | H15 | H16 | 118.8° | 120.0° |
| OMB | CMA | CAA | H15 | 7.1° | 120.0° |
| OMB | CMA | CAA | H16 | 112.2° | 120.0° |
| OMB | CMA | OMA | H17 | 0.0° | 0.0° |
| NH1 | CZ | NH2 | NE | 179.4° | 179.9° |
| NH1 | CZ | NE | CD | 179.9° | 0.1° |
| NH1 | CZ | NE | H12 | 0.2° | 180.0° |
| NH1 | CZ | NH2 | H14 | 179.1° | 180.0° |
| OMA | CMA | CAA | H15 | 172.8° | 60.0° |
| OMA | CMA | CAA | H16 | 68.0° | 60.0° |
| NH2 | CZ | NE | CD | 0.8° | 180.0° |
| NH2 | CZ | NE | H12 | 179.2° | 0.1° |
| NH2 | CZ | NH1 | H13 | 179.4° | 180.0° |
| CZ | NH2 | CAA | H15 | 57.3° | 60.1° |
| CZ | NH2 | CAA | H16 | 176.5° | 59.9° |
| CZ | NE | CD | H12 | 180.0° | 179.9° |
| CZ | NE | CD | CG | 108.4° | 179.9° |
| CZ | NE | CD | H10 | 131.2° | 60.0° |
| CZ | NE | CD | H11 | 12.0° | 60.0° |
| NE | CZ | NH1 | H13 | 0.0° | 0.1° |
| NE | CZ | NH2 | H14 | 0.3° | 0.1° |
| NE | CD | CG | H10 | 120.4° | 120.0° |
| NE | CD | CG | H11 | 120.5° | 120.0° |
| NE | CD | CG | CB | 175.6° | 180.0° |
| NE | CD | CG | H8 | 64.8° | 59.9° |
| NE | CD | CG | H9 | 56.1° | 60.0° |
| NE | CD | H10 | H11 | 118.7° | 120.0° |
| CD | CG | CB | H8 | 119.6° | 120.1° |
| CD | CG | CB | H9 | 119.6° | 120.0° |
| CD | CG | CB | CA | 160.7° | 180.0° |
| CD | CG | CB | H6 | 39.9° | 60.0° |
| CD | CG | CB | H7 | 78.4° | 60.0° |
| CD | CG | H8 | H9 | 121.2° | 119.9° |
| CG | CD | H10 | H11 | 118.7° | 120.0° |
| CG | CD | NE | H12 | 71.5° | 0.0° |
| CG | CB | CA | H6 | 120.9° | 120.0° |
| CG | CB | CA | H7 | 120.9° | 120.0° |
| CG | CB | CA | C | 65.4° | 175.0° |
| CG | CB | CA | N | 174.2° | 65.0° |
| CG | CB | CA | HA | 53.9° | 55.0° |
| CG | CB | H6 | H7 | 117.2° | 120.0° |
| CB | CG | H8 | H9 | 121.2° | 120.0° |
| CB | CG | CD | H10 | 55.2° | 60.0° |
| CB | CG | CD | H11 | 63.9° | 60.1° |
| CB | CA | C | O | 70.8° | 100.0° |
| CB | CA | C | N | 121.6° | 120.0° |
| CB | CA | C | HA | 119.4° | 120.0° |
| CB | CA | N | HA | 119.8° | 120.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CB | CA | C | OXT | 109.2° | 80.0° |
| CA | CB | H6 | H7 | 117.3° | 120.1° |
| CA | CB | CG | H8 | 79.7° | 60.0° |
| CA | CB | CG | H9 | 41.1° | 60.0° |
| O | C | CA | OXT | 180.0° | 180.0° |
| O | C | CA | N | 50.8° | 20.0° |
| O | C | CA | HA | 169.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | HA | 118.5° | 120.0° |
| C | CA | N | H | 58.3° | 60.0° |
| C | CA | N | H2 | 61.7° | 176.0° |
| C | CA | CB | H6 | 55.5° | 65.1° |
| C | CA | CB | H7 | 173.7° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 129.2° | 160.0° |
| N | CA | CB | H6 | 64.9° | 55.0° |
| N | CA | CB | H7 | 53.4° | 175.0° |
| H | N | CA | HA | 60.2° | 180.0° |
| H2 | N | CA | HA | 179.8° | 56.1° |
| HA | CA | C | OXT | 10.2° | 40.0° |
| HA | CA | CB | H6 | 174.8° | 175.0° |
| HA | CA | CB | H7 | 66.9° | 65.0° |
| H6 | CB | CG | H8 | 159.5° | 180.0° |
| H6 | CB | CG | H9 | 79.7° | 60.0° |
| H7 | CB | CG | H8 | 41.2° | 60.0° |
| H7 | CB | CG | H9 | 162.0° | 180.0° |
| H8 | CG | CD | H10 | 174.8° | 179.9° |
| H8 | CG | CD | H11 | 55.7° | 60.0° |
| H9 | CG | CD | H10 | 64.4° | 60.0° |
| H9 | CG | CD | H11 | 176.5° | 179.9° |
| H10 | CD | NE | H12 | 48.9° | 120.0° |
| H11 | CD | NE | H12 | 168.0° | 120.0° |
| H14 | NH2 | CAA | H15 | 122.7° | 120.0° |
| H14 | NH2 | CAA | H16 | 3.5° | 120.0° |
