M9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| F1 | CF | sing | 1.40Å | 1.33Å | |
| F2 | CF | sing | 1.40Å | 1.34Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.57Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.46Å | 1.47Å | |
| CD | CG | sing | 1.53Å | 1.54Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CF | F3 | sing | 1.40Å | 1.33Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| C | CA | sing | 1.53Å | 1.59Å | |
| C | CF | sing | 1.53Å | 1.58Å | |
| C | HI | sing | 1.09Å | 1.10Å | |
| CZ | NE | sing | 1.37Å | 1.34Å | |
| CZ | NH1 | sing | 1.33Å | 1.32Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| NH2 | CZ | doub | 1.33Å | 1.33Å | |
| NH2 | HNHB | sing | 0.97Å | 1.00Å | |
| O | C | sing | 1.43Å | 1.47Å | |
| HNHA | NH1 | sing | 0.97Å | 1.00Å | |
| HNH2 | NH2 | sing | 0.97Å | 1.00Å | |
| HB | CB | sing | 1.09Å | 1.10Å | |
| HD | CD | sing | 1.09Å | 1.10Å | |
| HDA | CD | sing | 1.09Å | 1.10Å | |
| HGA | CG | sing | 1.09Å | 1.10Å | |
| HOI2 | O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H | N | H2 | 109.5° | 111.0° |
| H | N | CA | 109.5° | 111.0° |
| H2 | N | CA | 109.5° | 111.0° |
| F1 | CF | F2 | 108.0° | 109.5° |
| F1 | CF | F3 | 107.6° | 109.5° |
| F1 | CF | C | 110.2° | 109.4° |
| F2 | CF | F3 | 109.2° | 109.5° |
| F2 | CF | C | 110.9° | 109.5° |
| N | CA | HA | 109.5° | 109.5° |
| N | CA | CB | 110.9° | 109.5° |
| N | CA | C | 107.2° | 109.4° |
| HA | CA | CB | 108.3° | 109.5° |
| HA | CA | C | 108.1° | 109.4° |
| CA | CB | HBA | 108.0° | 109.5° |
| CA | CB | CG | 115.3° | 109.5° |
| CB | CA | C | 112.8° | 109.5° |
| CA | CB | HB | 108.0° | 109.5° |
| HBA | CB | CG | 108.0° | 109.4° |
| HBA | CB | HB | 109.5° | 109.5° |
| NE | CD | CG | 111.9° | 109.5° |
| CD | NE | HNE | 117.2° | 120.0° |
| CD | NE | CZ | 125.5° | 120.0° |
| NE | CD | HD | 108.9° | 109.4° |
| NE | CD | HDA | 108.9° | 109.5° |
| CD | CG | CB | 112.7° | 109.5° |
| CD | CG | HG | 108.7° | 109.5° |
| CG | CD | HD | 108.8° | 109.4° |
| CG | CD | HDA | 108.9° | 109.4° |
| CD | CG | HGA | 108.6° | 109.4° |
| HNE | NE | CZ | 117.3° | 120.0° |
| F3 | CF | C | 110.8° | 109.5° |
| CB | CG | HG | 108.7° | 109.5° |
| CG | CB | HB | 108.0° | 109.5° |
| CB | CG | HGA | 108.7° | 109.4° |
| HG | CG | HGA | 109.5° | 109.5° |
| CA | C | CF | 110.9° | 109.5° |
| CA | C | HI | 108.7° | 109.5° |
| CA | C | O | 110.9° | 109.5° |
| CF | C | HI | 108.8° | 109.4° |
| CF | C | O | 107.2° | 109.5° |
| HI | C | O | 110.4° | 109.5° |
| NE | CZ | NH1 | 118.6° | 120.0° |
| NE | CZ | NH2 | 121.3° | 120.0° |
| CZ | NH1 | HNH1 | 120.0° | 120.0° |
| NH1 | CZ | NH2 | 120.1° | 120.0° |
| CZ | NH1 | HNHA | 120.0° | 120.0° |
| HNH1 | NH1 | HNHA | 120.0° | 120.0° |
| CZ | NH2 | HNHB | 120.0° | 120.0° |
| CZ | NH2 | HNH2 | 120.0° | 120.0° |
| HNHB | NH2 | HNH2 | 120.0° | 120.0° |
| C | O | HOI2 | 109.5° | 114.0° |
| HD | CD | HDA | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H | N | H2 | CA | 120.1° | 124.0° |
| H | N | CA | HA | 60.5° | 56.0° |
| H | N | CA | CB | 180.0° | 176.1° |
| H | N | CA | C | 56.5° | 64.0° |
| H2 | N | CA | HA | 179.4° | 180.0° |
| H2 | N | CA | CB | 60.0° | 59.9° |
| H2 | N | CA | C | 63.6° | 60.0° |
| F1 | CF | F2 | F3 | 116.7° | 120.0° |
| F1 | CF | F2 | C | 120.9° | 120.0° |
| F1 | CF | F3 | C | 120.5° | 119.9° |
| F1 | CF | C | CA | 176.6° | 60.0° |
| F1 | CF | C | HI | 63.9° | 180.0° |
| F1 | CF | C | O | 55.4° | 60.0° |
| F2 | CF | F3 | C | 122.5° | 120.0° |
| F2 | CF | C | CA | 57.0° | 60.0° |
| F2 | CF | C | HI | 176.5° | 60.0° |
| F2 | CF | C | O | 64.2° | 180.0° |
| N | CA | HA | CB | 121.0° | 120.1° |
| N | CA | HA | C | 116.5° | 119.9° |
| N | CA | CB | C | 120.3° | 120.0° |
| N | CA | CB | HBA | 41.2° | 175.0° |
| N | CA | CB | CG | 162.1° | 65.0° |
| N | CA | C | CF | 78.4° | 60.0° |
| N | CA | C | HI | 41.1° | 60.0° |
| N | CA | C | O | 162.6° | 180.0° |
| N | CA | CB | HB | 77.1° | 54.9° |
| HA | CA | CB | C | 119.6° | 120.0° |
| HA | CA | CB | HBA | 78.9° | 64.9° |
| HA | CA | CB | CG | 41.9° | 55.0° |
| HA | CA | C | CF | 39.5° | 60.0° |
| HA | CA | C | HI | 159.0° | 180.0° |
| HA | CA | C | O | 79.5° | 60.0° |
| HA | CA | CB | HB | 162.8° | 175.0° |
| CA | CB | HBA | CG | 125.3° | 120.0° |
| CA | CB | HBA | HB | 117.3° | 120.1° |
| CA | CB | CG | CD | 176.0° | 180.0° |
| CA | CB | CG | HB | 120.8° | 120.0° |
| CA | CB | CG | HG | 55.5° | 60.0° |
| CB | CA | C | CF | 159.2° | 180.0° |
| CB | CA | C | HI | 81.3° | 60.0° |
| CB | CA | C | O | 40.2° | 60.0° |
| CA | CB | CG | HGA | 63.6° | 60.0° |
| HBA | CB | CG | CD | 55.1° | 60.0° |
| HBA | CB | CG | HB | 118.3° | 120.0° |
| HBA | CB | CG | HG | 65.4° | 60.0° |
| HBA | CB | CA | C | 161.5° | 55.0° |
| HBA | CB | CG | HGA | 175.6° | 180.0° |
| NE | CD | CG | HD | 120.4° | 119.9° |
| NE | CD | CG | HDA | 120.4° | 120.1° |
| CD | NE | HNE | CZ | 180.0° | 179.9° |
| NE | CD | CG | CB | 67.1° | 180.0° |
| NE | CD | CG | HG | 53.4° | 60.0° |
| CD | NE | CZ | NH1 | 177.3° | 0.0° |
| CD | NE | CZ | NH2 | 2.4° | 179.9° |
| NE | CD | HD | HDA | 118.9° | 120.0° |
| NE | CD | CG | HGA | 172.4° | 60.1° |
| CG | CD | NE | HNE | 12.6° | 0.1° |
| CD | CG | CB | HG | 120.5° | 120.0° |
| CD | CG | CB | HGA | 120.5° | 120.0° |
| CD | CG | HG | HGA | 118.5° | 120.0° |
| CG | CD | NE | CZ | 167.4° | 180.0° |
| CD | CG | CB | HB | 63.2° | 60.0° |
| CG | CD | HD | HDA | 118.9° | 120.0° |
| HNE | NE | CZ | NH1 | 2.7° | 180.0° |
| HNE | NE | CZ | NH2 | 177.6° | 0.0° |
| HNE | NE | CD | HD | 107.8° | 120.0° |
| HNE | NE | CD | HDA | 133.0° | 119.9° |
| F3 | CF | C | CA | 64.5° | 180.0° |
| F3 | CF | C | HI | 55.0° | 60.0° |
| F3 | CF | C | O | 174.3° | 60.0° |
| CB | CG | HG | HGA | 118.5° | 120.0° |
| CG | CB | CA | C | 77.6° | 175.0° |
| CB | CG | CD | HD | 172.5° | 60.0° |
| CB | CG | CD | HDA | 53.3° | 60.0° |
| HG | CG | CB | HB | 176.3° | 180.0° |
| HG | CG | CD | HD | 67.0° | 60.0° |
| HG | CG | CD | HDA | 173.8° | 180.0° |
| CA | C | CF | HI | 119.5° | 120.0° |
| CA | C | CF | O | 121.2° | 120.0° |
| CA | C | HI | O | 121.8° | 120.0° |
| C | CA | CB | HB | 43.2° | 65.0° |
| CA | C | O | HOI2 | 180.0° | 60.0° |
| CF | C | HI | O | 117.3° | 120.0° |
| CF | C | O | HOI2 | 58.8° | 60.1° |
| HI | C | O | HOI2 | 59.5° | 180.0° |
| NE | CZ | NH1 | NH2 | 179.7° | 180.0° |
| NE | CZ | NH1 | HNH1 | 179.7° | 0.0° |
| NE | CZ | NH2 | HNHB | 179.7° | 0.0° |
| NE | CZ | NH1 | HNHA | 0.3° | 180.0° |
| NE | CZ | NH2 | HNH2 | 0.3° | 180.0° |
| CZ | NE | CD | HD | 72.2° | 60.0° |
| CZ | NE | CD | HDA | 47.0° | 60.0° |
| CZ | NH1 | HNH1 | HNHA | 180.0° | 180.0° |
| NH1 | CZ | NH2 | HNHB | 0.0° | 180.0° |
| NH1 | CZ | NH2 | HNH2 | 180.0° | 0.0° |
| HNH1 | NH1 | CZ | NH2 | 0.0° | 180.0° |
| CZ | NH2 | HNHB | HNH2 | 180.0° | 180.0° |
| NH2 | CZ | NH1 | HNHA | 180.0° | 0.0° |
| HB | CB | CG | HGA | 57.3° | 60.0° |
| HD | CD | CG | HGA | 52.0° | 180.0° |
| HDA | CD | CG | HGA | 67.2° | 60.0° |
