Z97
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.62Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| P | OP4 | sing | 1.61Å | 1.61Å | |
| N1 | C6 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2A | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C4A | sing | 1.48Å | 1.39Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5A | C5 | sing | 1.51Å | 1.53Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| NE | CD | sing | 1.46Å | 1.47Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| C4A | NE | doub | 1.29Å | 1.32Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C2A | H2AA | sing | 1.09Å | 1.10Å | |
| C2A | H2AB | sing | 1.09Å | 1.10Å | |
| C4A | H4A | sing | 1.08Å | 1.08Å | |
| OP4 | C5A | sing | 1.43Å | 1.43Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C5A | H5AA | sing | 1.09Å | 1.10Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 117.0° | 119.9° |
| O | C | OXT | 125.5° | 120.0° |
| CA | C | OXT | 117.5° | 120.0° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | CB | 109.5° | 109.5° |
| C | CA | HA | 109.4° | 109.4° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CA | N | HN | 109.5° | 110.9° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | CB | 109.5° | 109.5° |
| N | CA | HA | 109.5° | 109.4° |
| HN | N | HNA | 109.5° | 111.0° |
| OP1 | P | OP2 | 111.9° | 109.4° |
| OP1 | P | OP3 | 111.9° | 109.5° |
| OP1 | P | OP4 | 113.9° | 109.5° |
| OP2 | P | OP3 | 105.1° | 109.4° |
| OP2 | P | OP4 | 106.8° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP3 | P | OP4 | 106.8° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | OP4 | C5A | 120.0° | 123.0° |
| C6 | N1 | C2 | 121.4° | 122.1° |
| N1 | C6 | C5 | 121.5° | 121.0° |
| N1 | C6 | H6 | 119.3° | 119.5° |
| N1 | C2 | C2A | 119.9° | 119.6° |
| N1 | C2 | C3 | 120.1° | 120.8° |
| C2A | C2 | C3 | 120.0° | 119.6° |
| C2 | C2A | H2A | 109.5° | 109.4° |
| C2 | C2A | H2AA | 109.5° | 109.5° |
| C2 | C2A | H2AB | 109.5° | 109.5° |
| C2 | C3 | C4 | 119.4° | 118.9° |
| C2 | C3 | O3 | 120.3° | 120.5° |
| C4 | C3 | O3 | 120.3° | 120.6° |
| C3 | C4 | C5 | 119.4° | 118.1° |
| C3 | C4 | C4A | 120.3° | 120.9° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | C4A | 120.3° | 121.0° |
| C4 | C5 | C6 | 118.3° | 119.1° |
| C4 | C5 | C5A | 123.9° | 120.4° |
| C4 | C4A | NE | 120.0° | 120.1° |
| C4 | C4A | H4A | 120.0° | 120.0° |
| C6 | C5 | C5A | 117.8° | 120.5° |
| C5 | C6 | H6 | 119.3° | 119.5° |
| C5 | C5A | OP4 | 111.0° | 109.4° |
| C5 | C5A | H5A | 108.9° | 109.4° |
| C5 | C5A | H5AA | 108.9° | 109.5° |
| CB | CA | HA | 109.5° | 109.5° |
| CA | CB | CG | 111.0° | 109.5° |
| CA | CB | HB | 109.0° | 109.5° |
| CA | CB | HBA | 109.0° | 109.5° |
| CG | CB | HB | 109.0° | 109.4° |
| CG | CB | HBA | 109.0° | 109.4° |
| CB | CG | CD | 111.0° | 109.5° |
| CB | CG | HG | 109.0° | 109.4° |
| CB | CG | HGA | 109.0° | 109.4° |
| HB | CB | HBA | 110.0° | 109.5° |
| NE | CD | CG | 109.5° | 109.5° |
| NE | CD | HD | 109.5° | 109.5° |
| NE | CD | HDA | 109.5° | 109.4° |
| CD | NE | C4A | 120.0° | 120.1° |
| CG | CD | HD | 109.5° | 109.5° |
| CG | CD | HDA | 109.4° | 109.4° |
| CD | CG | HG | 108.9° | 109.5° |
| CD | CG | HGA | 109.0° | 109.5° |
| HD | CD | HDA | 109.5° | 109.5° |
| NE | C4A | H4A | 120.0° | 120.0° |
| HG | CG | HGA | 109.9° | 109.5° |
| H2A | C2A | H2AA | 109.4° | 109.5° |
| H2A | C2A | H2AB | 109.5° | 109.5° |
| H2AA | C2A | H2AB | 109.5° | 109.5° |
| OP4 | C5A | H5A | 109.0° | 109.5° |
| OP4 | C5A | H5AA | 109.0° | 109.5° |
| H5A | C5A | H5AA | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | N | 91.4° | 20.3° |
| O | C | CA | CB | 28.6° | 99.8° |
| O | C | CA | HA | 148.6° | 140.3° |
| O | C | OXT | HOXT | 0.0° | 0.2° |
| C | CA | N | CB | 120.1° | 120.1° |
| C | CA | N | HA | 120.0° | 119.9° |
| C | CA | N | HN | 180.0° | 60.1° |
| C | CA | N | HNA | 60.0° | 176.0° |
| C | CA | CB | HA | 120.0° | 120.0° |
| C | CA | CB | CG | 79.3° | 175.0° |
| C | CA | CB | HB | 160.7° | 65.1° |
| C | CA | CB | HBA | 40.7° | 55.0° |
| CA | C | OXT | HOXT | 180.0° | 179.9° |
| OXT | C | CA | N | 88.6° | 160.0° |
| OXT | C | CA | CB | 151.4° | 79.9° |
| OXT | C | CA | HA | 31.3° | 40.0° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | CB | HA | 120.0° | 120.0° |
| N | CA | CB | CG | 160.7° | 65.0° |
| N | CA | CB | HB | 40.7° | 55.0° |
| N | CA | CB | HBA | 79.3° | 175.0° |
| HN | N | CA | CB | 59.9° | 60.0° |
| HN | N | CA | HA | 60.1° | 180.0° |
| HNA | N | CA | CB | 179.9° | 63.9° |
| HNA | N | CA | HA | 60.0° | 56.1° |
| OP1 | P | OP2 | OP3 | 121.6° | 120.0° |
| OP1 | P | OP2 | OP4 | 125.2° | 120.0° |
| OP1 | P | OP3 | OP4 | 125.2° | 120.0° |
| OP1 | P | OP4 | C5A | 115.0° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
| OP2 | P | OP3 | OP4 | 113.1° | 120.0° |
| OP2 | P | OP4 | C5A | 121.0° | 65.0° |
| OP2 | P | OP3 | HOP3 | 121.7° | 60.0° |
| OP3 | P | OP4 | C5A | 9.0° | 175.0° |
| OP3 | P | OP2 | HOP2 | 121.6° | 60.0° |
| P | OP4 | C5A | C5 | 115.9° | 180.0° |
| P | OP4 | C5A | H5A | 4.1° | 60.0° |
| P | OP4 | C5A | H5AA | 124.1° | 60.0° |
| OP4 | P | OP2 | HOP2 | 125.2° | 60.0° |
| OP4 | P | OP3 | HOP3 | 125.2° | 180.0° |
| C6 | N1 | C2 | C2A | 180.0° | 180.0° |
| C6 | N1 | C2 | C3 | 0.0° | 0.1° |
| N1 | C6 | C5 | C4 | 0.0° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | C5A | 180.0° | 179.9° |
| N1 | C2 | C2A | C3 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 0.0° | 0.1° |
| N1 | C2 | C3 | O3 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | H6 | 180.0° | 180.0° |
| N1 | C2 | C2A | H2A | 0.0° | 90.0° |
| N1 | C2 | C2A | H2AA | 120.0° | 150.0° |
| N1 | C2 | C2A | H2AB | 120.0° | 30.0° |
| C2A | C2 | C3 | C4 | 180.0° | 180.0° |
| C2A | C2 | C3 | O3 | 0.0° | 0.0° |
| C2 | C2A | H2A | H2AA | 120.0° | 120.0° |
| C2 | C2A | H2A | H2AB | 120.0° | 120.0° |
| C2 | C2A | H2AA | H2AB | 120.0° | 120.0° |
| C2 | C3 | C4 | O3 | 180.0° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.1° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | C4A | 180.0° | 180.0° |
| C3 | C2 | C2A | H2A | 180.0° | 90.0° |
| C3 | C2 | C2A | H2AA | 60.0° | 30.1° |
| C3 | C2 | C2A | H2AB | 60.0° | 150.1° |
| C4 | C3 | O3 | HO3 | 0.1° | 90.0° |
| C3 | C4 | C5 | C4A | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | C5A | 180.0° | 179.9° |
| C3 | C4 | C4A | NE | 12.5° | 0.0° |
| C3 | C4 | C4A | H4A | 167.4° | 180.0° |
| O3 | C3 | C4 | C5 | 180.0° | 180.0° |
| O3 | C3 | C4 | C4A | 0.0° | 0.0° |
| C4 | C5 | C6 | C5A | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C4A | NE | 167.5° | 180.0° |
| C5 | C4 | C4A | H4A | 12.6° | 0.1° |
| C4 | C5 | C5A | OP4 | 170.5° | 180.0° |
| C4 | C5 | C5A | H5A | 69.5° | 60.0° |
| C4 | C5 | C5A | H5AA | 50.5° | 60.0° |
| C4A | C4 | C5 | C6 | 180.0° | 180.0° |
| C4A | C4 | C5 | C5A | 0.0° | 0.0° |
| C4 | C4A | NE | CD | 180.0° | 180.0° |
| C4 | C4A | NE | H4A | 180.0° | 179.9° |
| C6 | C5 | C5A | OP4 | 9.6° | 0.0° |
| C6 | C5 | C5A | H5A | 110.5° | 120.0° |
| C6 | C5 | C5A | H5AA | 129.6° | 120.0° |
| C5A | C5 | C6 | H6 | 0.0° | 0.0° |
| C5 | C5A | OP4 | H5A | 120.0° | 119.9° |
| C5 | C5A | OP4 | H5AA | 120.0° | 120.0° |
| C5 | C5A | H5A | H5AA | 119.3° | 120.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 119.4° | 120.0° |
| CA | CB | CG | CD | 164.0° | 180.0° |
| CA | CB | CG | HG | 44.0° | 60.0° |
| CA | CB | CG | HGA | 75.9° | 60.0° |
| HA | CA | CB | CG | 40.7° | 55.0° |
| HA | CA | CB | HB | 79.3° | 175.0° |
| HA | CA | CB | HBA | 160.7° | 65.0° |
| CG | CB | HB | HBA | 119.4° | 120.0° |
| CB | CG | CD | NE | 92.5° | 180.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | CD | HD | 27.5° | 59.9° |
| CB | CG | CD | HDA | 147.5° | 60.0° |
| CB | CG | HG | HGA | 119.4° | 120.0° |
| HB | CB | CG | CD | 76.0° | 60.0° |
| HB | CB | CG | HG | 164.0° | 180.0° |
| HB | CB | CG | HGA | 44.0° | 60.0° |
| HBA | CB | CG | CD | 44.0° | 60.0° |
| HBA | CB | CG | HG | 76.0° | 60.0° |
| HBA | CB | CG | HGA | 164.1° | 180.0° |
| NE | CD | CG | HD | 120.0° | 120.1° |
| NE | CD | CG | HDA | 120.0° | 120.0° |
| NE | CD | HD | HDA | 120.0° | 120.0° |
| NE | CD | CG | HG | 27.5° | 60.0° |
| NE | CD | CG | HGA | 147.5° | 60.0° |
| CD | NE | C4A | H4A | 0.0° | 0.0° |
| CG | CD | HD | HDA | 120.0° | 120.0° |
| CG | CD | NE | C4A | 156.2° | 115.0° |
| CD | CG | HG | HGA | 119.3° | 120.0° |
| HD | CD | NE | C4A | 36.2° | 125.0° |
| HD | CD | CG | HG | 147.5° | 60.0° |
| HD | CD | CG | HGA | 92.6° | 179.9° |
| HDA | CD | NE | C4A | 83.8° | 5.0° |
| HDA | CD | CG | HG | 92.5° | 180.0° |
| HDA | CD | CG | HGA | 27.5° | 60.0° |
| H2A | C2A | H2AA | H2AB | 120.0° | 120.0° |
| OP4 | C5A | H5A | H5AA | 119.4° | 120.0° |
