P0H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | C | sing | 1.51Å | 1.51Å | |
O | C | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.26Å | |
CA | N | sing | 1.47Å | 1.46Å | |
CD | N | sing | 1.47Å | 1.48Å | |
N | C9 | sing | 1.35Å | 1.33Å | |
O1 | C1 | doub | 1.22Å | 1.24Å | |
C1 | N1 | sing | 1.35Å | 1.33Å | |
C1 | O2 | sing | 1.35Å | 1.32Å | |
CA1 | N1 | sing | 1.47Å | 1.45Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C2 | O2 | sing | 1.45Å | 1.42Å | |
C2 | C3 | sing | 1.51Å | 1.50Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | O3 | doub | 1.21Å | 1.24Å | |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | CA1 | sing | 1.51Å | 1.51Å | |
CB | CA | sing | 1.54Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.55Å | 1.52Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.55Å | 1.53Å | |
CD | HD | sing | 1.09Å | 1.10Å | |
CD | HDA | sing | 1.09Å | 1.10Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CG | HGA | sing | 1.09Å | 1.10Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CA1 | HA1A | sing | 1.09Å | 1.10Å | |
OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | C | O | 118.2° | 120.0° |
CA | C | OXT | 117.2° | 120.0° |
C | CA | N | 108.7° | 109.9° |
C | CA | CB | 112.4° | 109.9° |
C | CA | HA | 106.2° | 109.8° |
O | C | OXT | 124.6° | 120.0° |
C | OXT | HOXT | 109.5° | 117.0° |
CA | N | CD | 112.4° | 108.7° |
CA | N | C9 | 121.5° | 125.7° |
N | CA | CB | 103.3° | 107.3° |
N | CA | HA | 114.9° | 109.8° |
CD | N | C9 | 126.0° | 125.6° |
N | CD | CG | 104.0° | 104.9° |
N | CD | HD | 111.3° | 110.4° |
N | CD | HDA | 111.4° | 110.4° |
N | C9 | O3 | 122.3° | 120.0° |
N | C9 | CA1 | 116.1° | 120.0° |
O1 | C1 | N1 | 123.2° | 120.0° |
O1 | C1 | O2 | 121.4° | 120.0° |
N1 | C1 | O2 | 115.4° | 120.0° |
C1 | N1 | CA1 | 121.2° | 120.0° |
C1 | N1 | HN1 | 119.4° | 120.0° |
C1 | O2 | C2 | 114.3° | 117.0° |
CA1 | N1 | HN1 | 119.4° | 120.0° |
N1 | CA1 | C9 | 112.7° | 109.4° |
N1 | CA1 | HA1 | 108.4° | 109.5° |
N1 | CA1 | HA1A | 108.4° | 109.5° |
O2 | C2 | C3 | 113.3° | 109.4° |
O2 | C2 | H2 | 108.2° | 109.5° |
O2 | C2 | H2A | 108.2° | 109.5° |
C3 | C2 | H2 | 108.2° | 109.4° |
C3 | C2 | H2A | 108.2° | 109.5° |
C2 | C3 | C4 | 120.4° | 120.0° |
C2 | C3 | C8 | 120.6° | 120.0° |
H2 | C2 | H2A | 110.7° | 109.5° |
C4 | C3 | C8 | 118.9° | 120.0° |
C3 | C4 | C5 | 121.0° | 120.0° |
C3 | C4 | H4 | 119.5° | 120.0° |
C3 | C8 | C7 | 120.5° | 120.0° |
C3 | C8 | H8 | 119.7° | 120.0° |
O3 | C9 | CA1 | 121.6° | 120.0° |
C5 | C4 | H4 | 119.5° | 120.0° |
C4 | C5 | C6 | 119.6° | 120.0° |
C4 | C5 | H5 | 120.2° | 120.0° |
C6 | C5 | H5 | 120.2° | 120.0° |
C5 | C6 | C7 | 120.1° | 120.1° |
C5 | C6 | H6 | 120.0° | 119.9° |
C7 | C6 | H6 | 120.0° | 120.0° |
C6 | C7 | C8 | 119.8° | 120.0° |
C6 | C7 | H7 | 120.1° | 120.0° |
C8 | C7 | H7 | 120.1° | 120.0° |
C7 | C8 | H8 | 119.7° | 120.0° |
C9 | CA1 | HA1 | 108.4° | 109.4° |
C9 | CA1 | HA1A | 108.4° | 109.5° |
CB | CA | HA | 111.4° | 110.1° |
CA | CB | CG | 104.4° | 102.9° |
CA | CB | HB | 111.2° | 110.8° |
CA | CB | HBA | 111.2° | 110.7° |
CG | CB | HB | 111.2° | 110.7° |
CG | CB | HBA | 111.2° | 110.7° |
CB | CG | CD | 106.8° | 101.7° |
CB | CG | HG | 110.4° | 111.0° |
CB | CG | HGA | 110.4° | 111.1° |
HB | CB | HBA | 107.7° | 110.7° |
CG | CD | HD | 111.3° | 110.4° |
CG | CD | HDA | 111.3° | 110.3° |
CD | CG | HG | 110.4° | 111.1° |
CD | CG | HGA | 110.4° | 110.8° |
HD | CD | HDA | 107.6° | 110.4° |
HG | CG | HGA | 108.6° | 110.9° |
HA1 | CA1 | HA1A | 110.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | C | O | OXT | 179.5° | 179.7° |
C | CA | N | CB | 119.6° | 119.4° |
C | CA | N | HA | 118.9° | 120.9° |
C | CA | N | CD | 97.1° | 118.6° |
C | CA | N | C9 | 84.5° | 61.6° |
C | CA | CB | HA | 119.1° | 121.1° |
C | CA | CB | CG | 87.3° | 141.6° |
C | CA | CB | HB | 32.7° | 23.2° |
C | CA | CB | HBA | 152.7° | 100.0° |
CA | C | OXT | HOXT | 179.5° | 179.7° |
O | C | CA | N | 78.1° | 0.4° |
O | C | CA | CB | 35.7° | 117.5° |
O | C | CA | HA | 157.7° | 121.3° |
O | C | OXT | HOXT | 0.0° | 0.0° |
OXT | C | CA | N | 102.4° | 180.0° |
OXT | C | CA | CB | 143.9° | 62.2° |
OXT | C | CA | HA | 21.8° | 59.0° |
CA | N | CD | C9 | 178.3° | 179.8° |
CA | N | C9 | O3 | 2.2° | 0.0° |
CA | N | C9 | CA1 | 179.8° | 180.0° |
N | CA | CB | HA | 123.9° | 119.5° |
N | CA | CB | CG | 29.8° | 22.2° |
N | CA | CB | HB | 149.8° | 96.2° |
N | CA | CB | HBA | 90.2° | 140.6° |
CA | N | CD | CG | 5.9° | 23.8° |
CA | N | CD | HD | 125.8° | 142.7° |
CA | N | CD | HDA | 114.1° | 95.0° |
CD | N | C9 | O3 | 176.0° | 179.7° |
CD | N | C9 | CA1 | 2.0° | 0.3° |
CD | N | CA | CB | 22.5° | 0.8° |
CD | N | CA | HA | 144.1° | 120.4° |
N | CD | CG | CB | 13.7° | 36.7° |
N | CD | CG | HD | 120.0° | 118.9° |
N | CD | CG | HDA | 120.0° | 118.8° |
N | CD | HD | HDA | 122.2° | 122.3° |
N | CD | CG | HG | 106.3° | 154.9° |
N | CD | CG | HGA | 133.7° | 81.4° |
N | C9 | CA1 | N1 | 174.4° | 180.0° |
N | C9 | O3 | CA1 | 177.9° | 180.0° |
C9 | N | CA | CB | 155.9° | 178.9° |
C9 | N | CA | HA | 34.3° | 59.3° |
C9 | N | CD | CG | 172.5° | 155.9° |
C9 | N | CD | HD | 52.5° | 37.0° |
C9 | N | CD | HDA | 67.5° | 85.3° |
N | C9 | CA1 | HA1 | 54.4° | 60.0° |
N | C9 | CA1 | HA1A | 65.6° | 60.0° |
O1 | C1 | N1 | O2 | 179.0° | 179.9° |
O1 | C1 | N1 | CA1 | 1.7° | 0.0° |
O1 | C1 | N1 | HN1 | 178.3° | 180.0° |
O1 | C1 | O2 | C2 | 13.4° | 0.0° |
C1 | N1 | CA1 | HN1 | 180.0° | 180.0° |
N1 | C1 | O2 | C2 | 165.6° | 180.0° |
C1 | N1 | CA1 | C9 | 84.3° | 180.0° |
C1 | N1 | CA1 | HA1 | 35.7° | 60.1° |
C1 | N1 | CA1 | HA1A | 155.7° | 60.0° |
O2 | C1 | N1 | CA1 | 179.3° | 180.0° |
O2 | C1 | N1 | HN1 | 0.7° | 0.1° |
C1 | O2 | C2 | C3 | 100.4° | 180.0° |
C1 | O2 | C2 | H2 | 19.6° | 60.0° |
C1 | O2 | C2 | H2A | 139.6° | 60.0° |
N1 | CA1 | C9 | O3 | 3.6° | 0.0° |
N1 | CA1 | C9 | HA1 | 120.0° | 120.0° |
N1 | CA1 | C9 | HA1A | 120.0° | 120.0° |
N1 | CA1 | HA1 | HA1A | 118.7° | 120.0° |
HN1 | N1 | CA1 | C9 | 95.7° | 0.0° |
HN1 | N1 | CA1 | HA1 | 144.3° | 120.0° |
HN1 | N1 | CA1 | HA1A | 24.3° | 119.9° |
O2 | C2 | C3 | H2 | 120.0° | 120.0° |
O2 | C2 | C3 | H2A | 120.0° | 120.0° |
O2 | C2 | H2 | H2A | 118.4° | 120.1° |
O2 | C2 | C3 | C4 | 83.4° | 89.8° |
O2 | C2 | C3 | C8 | 95.4° | 90.0° |
C3 | C2 | H2 | H2A | 118.4° | 120.0° |
C2 | C3 | C4 | C8 | 178.8° | 179.8° |
C2 | C3 | C4 | C5 | 178.7° | 180.0° |
C2 | C3 | C4 | H4 | 1.3° | 0.0° |
C2 | C3 | C8 | C7 | 178.8° | 179.8° |
C2 | C3 | C8 | H8 | 1.3° | 0.0° |
H2 | C2 | C3 | C4 | 36.6° | 150.3° |
H2 | C2 | C3 | C8 | 144.6° | 30.0° |
H2A | C2 | C3 | C4 | 156.6° | 30.3° |
H2A | C2 | C3 | C8 | 24.6° | 150.0° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | C5 | H5 | 179.8° | 179.9° |
C4 | C3 | C8 | C7 | 0.1° | 0.5° |
C4 | C3 | C8 | H8 | 179.9° | 179.7° |
C8 | C3 | C4 | C5 | 0.2° | 0.3° |
C8 | C3 | C4 | H4 | 179.8° | 179.8° |
C3 | C8 | C7 | C6 | 0.1° | 0.4° |
C3 | C8 | C7 | H8 | 180.0° | 179.8° |
C3 | C8 | C7 | H7 | 179.9° | 179.7° |
O3 | C9 | CA1 | HA1 | 123.6° | 120.0° |
O3 | C9 | CA1 | HA1A | 116.4° | 119.9° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 0.0° | 0.1° |
C4 | C5 | C6 | H6 | 180.0° | 179.9° |
H4 | C4 | C5 | C6 | 179.9° | 180.0° |
H4 | C4 | C5 | H5 | 0.1° | 0.1° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.1° |
C5 | C6 | C7 | H7 | 179.9° | 180.0° |
H5 | C5 | C6 | C7 | 180.0° | 180.0° |
H5 | C5 | C6 | H6 | 0.0° | 0.0° |
C6 | C7 | C8 | H7 | 180.0° | 179.9° |
C6 | C7 | C8 | H8 | 180.0° | 179.8° |
H6 | C6 | C7 | C8 | 179.9° | 179.8° |
H6 | C6 | C7 | H7 | 0.1° | 0.0° |
H7 | C7 | C8 | H8 | 0.0° | 0.1° |
C9 | CA1 | HA1 | HA1A | 118.7° | 120.0° |
CA | CB | CG | HB | 120.0° | 118.4° |
CA | CB | CG | HBA | 120.0° | 118.4° |
CA | CB | HB | HBA | 122.1° | 123.2° |
CA | CB | CG | CD | 27.2° | 35.4° |
CA | CB | CG | HG | 92.8° | 153.6° |
CA | CB | CG | HGA | 147.1° | 82.5° |
HA | CA | CB | CG | 153.7° | 97.3° |
HA | CA | CB | HB | 86.3° | 144.3° |
HA | CA | CB | HBA | 33.7° | 21.1° |
CG | CB | HB | HBA | 122.1° | 123.2° |
CB | CG | CD | HG | 120.0° | 118.2° |
CB | CG | CD | HGA | 120.0° | 118.1° |
CB | CG | CD | HD | 106.3° | 155.6° |
CB | CG | CD | HDA | 133.7° | 82.1° |
CB | CG | HG | HGA | 121.1° | 124.0° |
HB | CB | CG | CD | 147.2° | 83.0° |
HB | CB | CG | HG | 27.1° | 35.2° |
HB | CB | CG | HGA | 92.9° | 159.0° |
HBA | CB | CG | CD | 92.8° | 153.7° |
HBA | CB | CG | HG | 147.2° | 88.1° |
HBA | CB | CG | HGA | 27.1° | 35.8° |
CG | CD | HD | HDA | 122.2° | 122.2° |
CD | CG | HG | HGA | 121.1° | 123.7° |
HD | CD | CG | HG | 133.7° | 86.2° |
HD | CD | CG | HGA | 13.7° | 37.5° |
HDA | CD | CG | HG | 13.7° | 36.1° |
HDA | CD | CG | HGA | 106.3° | 159.8° |