00Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.53Å | 1.51Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| O | C | sing | 1.43Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.46Å | 1.45Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.34Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CZ | NH1 | doub | 1.30Å | 1.36Å | |
| CZ | NH2 | sing | 1.37Å | 1.36Å | |
| C1X | C | sing | 1.51Å | 1.56Å | |
| N1X | C1X | doub | 1.29Å | 1.39Å | Aromatic |
| S1X | C1X | sing | 1.71Å | 1.80Å | Aromatic |
| C2X | N1X | sing | 1.32Å | 1.43Å | Aromatic |
| C2X | H2X | sing | 1.08Å | 1.08Å | |
| C3X | S1X | sing | 1.76Å | 1.75Å | Aromatic |
| C3X | C2X | doub | 1.34Å | 1.36Å | Aromatic |
| C3X | H3X | sing | 1.08Å | 1.08Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| NH2 | HNHA | sing | 0.97Å | 1.00Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| O | H34 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 125.2° | 109.5° |
| C | CA | N | 116.1° | 109.5° |
| C | CA | CB | 116.9° | 109.5° |
| C | CA | HA | 101.9° | 109.5° |
| CA | C | C1X | 122.1° | 109.5° |
| CA | C | H33 | 79.6° | 109.4° |
| HN | N | CA | 109.5° | 111.0° |
| HN | N | H2 | 109.5° | 111.0° |
| O | C | C1X | 102.4° | 109.5° |
| O | C | H33 | 110.5° | 109.5° |
| C | O | H34 | 109.5° | 114.0° |
| N | CA | CB | 118.2° | 109.5° |
| N | CA | HA | 99.8° | 109.5° |
| CA | N | H2 | 109.5° | 111.1° |
| CB | CA | HA | 98.4° | 109.4° |
| CA | CB | CG | 107.9° | 109.5° |
| CA | CB | HB | 110.0° | 109.5° |
| CA | CB | HBA | 110.0° | 109.5° |
| CG | CB | HB | 110.0° | 109.5° |
| CG | CB | HBA | 110.0° | 109.4° |
| CB | CG | CD | 109.1° | 109.5° |
| CB | CG | HG | 109.6° | 109.5° |
| CB | CG | HGA | 109.6° | 109.5° |
| HB | CB | HBA | 108.9° | 109.5° |
| NE | CD | HD | 109.1° | 109.5° |
| NE | CD | HDA | 109.1° | 109.5° |
| CD | NE | CZ | 124.0° | 120.0° |
| CD | NE | HNE | 118.0° | 120.0° |
| NE | CD | CG | 110.6° | 109.5° |
| HD | CD | HDA | 109.8° | 109.4° |
| HD | CD | CG | 109.1° | 109.5° |
| HDA | CD | CG | 109.1° | 109.4° |
| CZ | NE | HNE | 118.0° | 120.0° |
| NE | CZ | NH1 | 111.2° | 120.0° |
| NE | CZ | NH2 | 119.5° | 120.0° |
| CD | CG | HG | 109.6° | 109.4° |
| CD | CG | HGA | 109.6° | 109.5° |
| HG | CG | HGA | 109.4° | 109.5° |
| NH1 | CZ | NH2 | 116.9° | 120.0° |
| CZ | NH1 | HNH1 | 112.0° | 120.0° |
| CZ | NH2 | HNH2 | 120.0° | 120.0° |
| CZ | NH2 | HNHA | 120.0° | 120.0° |
| C | C1X | N1X | 127.2° | 124.9° |
| C | C1X | S1X | 132.3° | 124.9° |
| C1X | C | H33 | 115.2° | 109.5° |
| N1X | C1X | S1X | 100.5° | 110.2° |
| C1X | N1X | C2X | 126.6° | 117.1° |
| C1X | S1X | C3X | 93.2° | 90.3° |
| N1X | C2X | H2X | 128.3° | 122.8° |
| N1X | C2X | C3X | 103.4° | 114.5° |
| H2X | C2X | C3X | 128.3° | 122.8° |
| S1X | C3X | C2X | 116.1° | 107.9° |
| S1X | C3X | H3X | 121.9° | 126.1° |
| C2X | C3X | H3X | 122.0° | 126.0° |
| HNH2 | NH2 | HNHA | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | N | HN | 180.0° | 64.0° |
| CA | C | O | C1X | 145.1° | 120.0° |
| CA | C | O | H33 | 91.6° | 120.0° |
| C | CA | N | CB | 146.4° | 120.0° |
| C | CA | N | HA | 108.5° | 120.1° |
| C | CA | CB | HA | 108.0° | 120.0° |
| C | CA | CB | CG | 159.9° | 175.0° |
| C | CA | CB | HB | 80.1° | 65.0° |
| C | CA | CB | HBA | 39.9° | 55.0° |
| CA | C | C1X | H33 | 93.5° | 120.0° |
| CA | C | C1X | N1X | 85.8° | 105.0° |
| CA | C | C1X | S1X | 96.6° | 74.7° |
| CA | C | O | H34 | 180.0° | 60.1° |
| C | CA | N | H2 | 60.0° | 60.0° |
| HN | N | CA | H2 | 120.0° | 124.0° |
| HN | N | CA | CB | 33.6° | 176.0° |
| HN | N | CA | HA | 71.5° | 56.1° |
| O | C | CA | N | 175.0° | 180.0° |
| O | C | CA | CB | 38.2° | 60.0° |
| O | C | CA | HA | 67.8° | 60.0° |
| O | C | C1X | H33 | 120.0° | 120.0° |
| O | C | C1X | N1X | 127.7° | 135.0° |
| O | C | C1X | S1X | 49.9° | 45.3° |
| N | CA | CB | HA | 105.8° | 120.0° |
| N | CA | CB | CG | 54.0° | 65.0° |
| N | CA | CB | HB | 66.0° | 55.0° |
| N | CA | CB | HBA | 174.0° | 175.0° |
| N | CA | C | C1X | 36.2° | 60.0° |
| N | CA | C | H33 | 77.1° | 60.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 120.7° | 120.1° |
| CA | CB | CG | CD | 177.8° | 180.0° |
| CA | CB | CG | HG | 62.2° | 60.0° |
| CA | CB | CG | HGA | 57.8° | 60.0° |
| CB | CA | C | C1X | 176.9° | 180.0° |
| CB | CA | C | H33 | 69.7° | 60.0° |
| CB | CA | N | H2 | 153.6° | 60.0° |
| HA | CA | CB | CG | 51.9° | 55.0° |
| HA | CA | CB | HB | 171.9° | 175.0° |
| HA | CA | CB | HBA | 68.2° | 65.0° |
| HA | CA | C | C1X | 71.0° | 60.1° |
| HA | CA | C | H33 | 175.6° | 180.0° |
| HA | CA | N | H2 | 48.5° | 179.9° |
| CG | CB | HB | HBA | 120.6° | 119.9° |
| CB | CG | CD | NE | 179.4° | 180.0° |
| CB | CG | CD | HD | 59.3° | 59.9° |
| CB | CG | CD | HDA | 60.6° | 60.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | HG | HGA | 120.2° | 120.0° |
| HB | CB | CG | CD | 57.8° | 60.0° |
| HB | CB | CG | HG | 177.8° | 180.0° |
| HB | CB | CG | HGA | 62.2° | 60.0° |
| HBA | CB | CG | CD | 62.1° | 60.0° |
| HBA | CB | CG | HG | 57.9° | 60.0° |
| HBA | CB | CG | HGA | 177.9° | 180.0° |
| NE | CD | HD | HDA | 119.5° | 120.0° |
| NE | CD | HD | CG | 121.0° | 120.1° |
| NE | CD | HDA | CG | 120.9° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 180.0° |
| NE | CD | CG | HG | 59.4° | 60.0° |
| NE | CD | CG | HGA | 60.6° | 60.0° |
| CD | NE | CZ | NH1 | 4.9° | 0.0° |
| CD | NE | CZ | NH2 | 136.0° | 180.0° |
| HD | CD | HDA | CG | 119.5° | 120.0° |
| HD | CD | NE | CZ | 57.6° | 60.0° |
| HD | CD | NE | HNE | 122.4° | 120.0° |
| HD | CD | CG | HG | 60.6° | 60.1° |
| HD | CD | CG | HGA | 179.3° | 180.0° |
| HDA | CD | NE | CZ | 62.4° | 60.0° |
| HDA | CD | NE | HNE | 117.6° | 120.0° |
| HDA | CD | CG | HG | 179.4° | 180.0° |
| HDA | CD | CG | HGA | 59.4° | 60.0° |
| CZ | NE | CD | CG | 177.6° | 180.0° |
| NE | CZ | NH1 | NH2 | 142.0° | 180.0° |
| NE | CZ | NH1 | HNH1 | 141.9° | 180.0° |
| NE | CZ | NH2 | HNH2 | 138.7° | 0.1° |
| NE | CZ | NH2 | HNHA | 41.3° | 180.0° |
| HNE | NE | CD | CG | 2.4° | 0.0° |
| HNE | NE | CZ | NH1 | 175.2° | 180.0° |
| HNE | NE | CZ | NH2 | 44.0° | 0.0° |
| CD | CG | HG | HGA | 120.1° | 120.0° |
| NH1 | CZ | NH2 | HNH2 | 0.0° | 180.0° |
| NH1 | CZ | NH2 | HNHA | 180.0° | 0.0° |
| NH2 | CZ | NH1 | HNH1 | 0.0° | 0.0° |
| CZ | NH2 | HNH2 | HNHA | 180.0° | 179.9° |
| C | C1X | N1X | S1X | 178.2° | 179.8° |
| C | C1X | N1X | C2X | 176.3° | 180.0° |
| C | C1X | S1X | C3X | 175.7° | 180.0° |
| C1X | C | O | H34 | 34.9° | 59.9° |
| C1X | N1X | C2X | H2X | 179.9° | 180.0° |
| N1X | C1X | S1X | C3X | 2.3° | 0.2° |
| C1X | N1X | C2X | C3X | 0.1° | 0.1° |
| N1X | C1X | C | H33 | 7.7° | 14.9° |
| S1X | C1X | N1X | C2X | 1.9° | 0.2° |
| C1X | S1X | C3X | C2X | 2.8° | 0.2° |
| C1X | S1X | C3X | H3X | 177.2° | 180.0° |
| S1X | C1X | C | H33 | 169.9° | 165.3° |
| N1X | C2X | H2X | C3X | 180.0° | 179.9° |
| N1X | C2X | C3X | S1X | 2.0° | 0.1° |
| N1X | C2X | C3X | H3X | 178.0° | 179.9° |
| H2X | C2X | C3X | S1X | 178.0° | 179.8° |
| H2X | C2X | C3X | H3X | 2.1° | 0.0° |
| S1X | C3X | C2X | H3X | 180.0° | 179.9° |
| H33 | C | O | H34 | 88.4° | 180.0° |
