PAT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.02Å | 1.02Å | |
| N | H2 | sing | 1.02Å | 1.02Å | |
| CA | C | sing | 1.52Å | 85.13Å | |
| CA | CB | sing | 1.54Å | 1.50Å | |
| CA | P | sing | 1.80Å | 1.87Å | |
| C | O | doub | 1.23Å | 0.00Å | |
| C | OXT | sing | 1.36Å | 0.00Å | |
| CB | CG | sing | 1.50Å | 1.49Å | |
| CB | HB2 | sing | 1.10Å | 1.11Å | |
| CB | HB3 | sing | 1.10Å | 1.11Å | |
| CG | CD1 | doub | 1.36Å | 1.37Å | Aromatic |
| CG | CD2 | sing | 1.41Å | 1.43Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.40Å | 1.41Å | Aromatic |
| CD2 | CE3 | sing | 1.41Å | 1.39Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| NE1 | HE1 | sing | 1.01Å | 1.02Å | |
| CE2 | CZ2 | sing | 1.40Å | 1.39Å | Aromatic |
| CE3 | CZ3 | doub | 1.40Å | 1.38Å | Aromatic |
| CE3 | HE3 | sing | 1.09Å | 1.10Å | |
| CZ2 | CH2 | doub | 1.40Å | 1.37Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.41Å | Aromatic |
| CZ3 | HZ3 | sing | 1.09Å | 1.10Å | |
| CH2 | HH2 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| P | O1P | doub | 1.50Å | 1.51Å | |
| P | O2P | sing | 1.62Å | 1.47Å | |
| P | O3P | sing | 1.62Å | 1.50Å | |
| O2P | HOP2 | sing | 0.98Å | 0.95Å | |
| O3P | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 108.5° | 110.3° |
| CA | N | H2 | 119.8° | 110.3° |
| N | CA | C | 119.8° | 106.7° |
| N | CA | CB | 116.3° | 108.1° |
| N | CA | P | 108.7° | 99.9° |
| H | N | H2 | 108.5° | 106.7° |
| C | CA | CB | 109.8° | 111.7° |
| C | CA | P | 13.3° | 114.7° |
| CA | C | O | 90.0° | 124.0° |
| CA | C | OXT | 90.0° | 113.7° |
| CB | CA | P | 112.2° | 114.5° |
| CA | CB | CG | 117.2° | 114.8° |
| CA | CB | HB2 | 109.4° | 109.3° |
| CA | CB | HB3 | 109.4° | 110.4° |
| CA | P | O1P | 108.4° | 114.9° |
| CA | P | O2P | 109.6° | 104.5° |
| CA | P | O3P | 109.9° | 104.6° |
| O | C | OXT | 90.0° | 122.3° |
| C | OXT | HXT | 90.0° | 114.6° |
| CG | CB | HB2 | 109.4° | 108.3° |
| CG | CB | HB3 | 109.4° | 108.3° |
| CB | CG | CD1 | 125.9° | 124.8° |
| CB | CG | CD2 | 128.4° | 125.6° |
| HB2 | CB | HB3 | 100.7° | 105.3° |
| CD1 | CG | CD2 | 105.7° | 109.5° |
| CG | CD1 | NE1 | 110.6° | 107.0° |
| CG | CD1 | HD1 | 124.6° | 132.5° |
| CG | CD2 | CE2 | 107.6° | 106.1° |
| CG | CD2 | CE3 | 134.2° | 135.1° |
| NE1 | CD1 | HD1 | 124.9° | 120.5° |
| CD1 | NE1 | CE2 | 108.4° | 110.2° |
| CD1 | NE1 | HE1 | 126.0° | 125.0° |
| CE2 | CD2 | CE3 | 118.1° | 118.8° |
| CD2 | CE2 | NE1 | 107.7° | 107.1° |
| CD2 | CE2 | CZ2 | 123.1° | 122.6° |
| CD2 | CE3 | CZ3 | 119.8° | 119.2° |
| CD2 | CE3 | HE3 | 120.6° | 120.9° |
| CE2 | NE1 | HE1 | 125.7° | 124.8° |
| NE1 | CE2 | CZ2 | 129.1° | 130.2° |
| CE2 | CZ2 | CH2 | 116.8° | 117.6° |
| CE2 | CZ2 | HZ2 | 122.5° | 121.5° |
| CZ3 | CE3 | HE3 | 119.6° | 119.9° |
| CE3 | CZ3 | CH2 | 120.3° | 120.8° |
| CE3 | CZ3 | HZ3 | 118.7° | 119.6° |
| CH2 | CZ2 | HZ2 | 120.7° | 120.9° |
| CZ2 | CH2 | CZ3 | 121.8° | 121.0° |
| CZ2 | CH2 | HH2 | 117.6° | 119.4° |
| CH2 | CZ3 | HZ3 | 121.0° | 119.7° |
| CZ3 | CH2 | HH2 | 120.6° | 119.6° |
| O1P | P | O2P | 107.4° | 114.6° |
| O1P | P | O3P | 104.3° | 114.4° |
| O2P | P | O3P | 116.9° | 102.5° |
| P | O2P | HOP2 | 109.6° | 118.8° |
| P | O3P | HOP3 | 109.9° | 119.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 131.6° | 119.8° |
| N | CA | C | CB | 138.5° | 117.9° |
| N | CA | C | P | 35.6° | 109.6° |
| N | CA | CB | P | 126.1° | 110.3° |
| N | CA | C | O | 90.0° | 122.0° |
| N | CA | C | OXT | 90.0° | 56.6° |
| N | CA | CB | CG | 17.8° | 177.1° |
| N | CA | CB | HB2 | 143.1° | 55.2° |
| N | CA | CB | HB3 | 107.5° | 60.2° |
| N | CA | P | O1P | 71.4° | 66.4° |
| N | CA | P | O2P | 45.4° | 167.2° |
| N | CA | P | O3P | 175.1° | 59.9° |
| H | N | CA | C | 54.8° | 3.4° |
| H | N | CA | CB | 81.2° | 116.9° |
| H | N | CA | P | 46.7° | 123.1° |
| H2 | N | CA | C | 180.0° | 121.0° |
| H2 | N | CA | CB | 44.1° | 0.7° |
| H2 | N | CA | P | 171.9° | 119.3° |
| C | CA | CB | P | 14.0° | 132.6° |
| CA | C | O | OXT | 90.0° | 178.5° |
| C | CA | CB | CG | 157.9° | 60.0° |
| C | CA | CB | HB2 | 76.9° | 61.9° |
| C | CA | CB | HB3 | 32.6° | 177.3° |
| CA | C | OXT | HXT | 90.0° | 178.6° |
| C | CA | P | O1P | 76.3° | 180.0° |
| C | CA | P | O2P | 166.8° | 53.6° |
| C | CA | P | O3P | 37.1° | 53.8° |
| CB | CA | C | O | 90.0° | 120.0° |
| CB | CA | C | OXT | 90.0° | 61.4° |
| CA | CB | CG | HB2 | 125.3° | 122.5° |
| CA | CB | CG | HB3 | 125.3° | 123.9° |
| CA | CB | HB2 | HB3 | 115.2° | 118.6° |
| CA | CB | CG | CD1 | 100.1° | 90.0° |
| CA | CB | CG | CD2 | 82.8° | 89.9° |
| CB | CA | P | O1P | 158.5° | 48.8° |
| CB | CA | P | O2P | 84.7° | 77.6° |
| CB | CA | P | O3P | 45.0° | 175.1° |
| P | CA | C | O | 90.0° | 12.5° |
| P | CA | C | OXT | 90.0° | 166.2° |
| P | CA | CB | CG | 143.9° | 72.6° |
| P | CA | CB | HB2 | 90.8° | 165.5° |
| P | CA | CB | HB3 | 18.6° | 50.2° |
| CA | P | O1P | O2P | 118.3° | 121.1° |
| CA | P | O1P | O3P | 117.1° | 121.0° |
| CA | P | O2P | O3P | 125.8° | 108.9° |
| CA | P | O2P | HOP2 | 180.0° | 177.0° |
| CA | P | O3P | HOP3 | 180.0° | 176.9° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CG | CB | HB2 | HB3 | 115.2° | 115.6° |
| CB | CG | CD1 | CD2 | 177.6° | 180.0° |
| CB | CG | CD1 | NE1 | 178.8° | 180.0° |
| CB | CG | CD1 | HD1 | 1.2° | 0.0° |
| CB | CG | CD2 | CE2 | 178.8° | 180.0° |
| CB | CG | CD2 | CE3 | 1.6° | 0.0° |
| HB2 | CB | CG | CD1 | 134.6° | 32.5° |
| HB2 | CB | CG | CD2 | 42.4° | 147.6° |
| HB3 | CB | CG | CD1 | 25.1° | 146.1° |
| HB3 | CB | CG | CD2 | 151.9° | 33.9° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.3° | 0.0° |
| CD1 | CG | CD2 | CE3 | 179.1° | 180.0° |
| CG | CD1 | NE1 | CE2 | 0.6° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.4° | 179.9° |
| CD2 | CG | CD1 | NE1 | 1.2° | 0.0° |
| CD2 | CG | CD1 | HD1 | 178.9° | 180.0° |
| CG | CD2 | CE2 | CE3 | 179.7° | 180.0° |
| CG | CD2 | CE2 | NE1 | 1.0° | 0.0° |
| CG | CD2 | CE2 | CZ2 | 179.4° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 178.8° | 180.0° |
| CG | CD2 | CE3 | HE3 | 1.2° | 0.1° |
| CD1 | NE1 | CE2 | CD2 | 0.3° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.9° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.4° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 0.6° | 0.1° |
| CD2 | CE2 | NE1 | CZ2 | 179.6° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 179.7° | 179.9° |
| CE2 | CD2 | CE3 | CZ3 | 0.8° | 0.1° |
| CE2 | CD2 | CE3 | HE3 | 179.2° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.3° | 0.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.7° | 180.0° |
| CE3 | CD2 | CE2 | NE1 | 179.3° | 180.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.3° | 0.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.7° | 0.1° |
| CD2 | CE3 | CZ3 | HZ3 | 179.3° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.8° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.2° | 0.0° |
| HE1 | NE1 | CE2 | CZ2 | 0.1° | 0.1° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.4° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 179.7° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.2° | 0.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | HH2 | 179.8° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.3° | 180.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.7° | 0.1° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.9° | 180.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.7° | 180.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.3° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.2° | 0.1° |
| O1P | P | O2P | O3P | 116.7° | 124.5° |
| O1P | P | O2P | HOP2 | 62.5° | 50.4° |
| O1P | P | O3P | HOP3 | 64.0° | 50.3° |
| O2P | P | O3P | HOP3 | 54.4° | 74.3° |
| O3P | P | O2P | HOP2 | 54.2° | 74.1° |
