PLT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
N1 | C6 | sing | 1.32Å | 1.36Å | Aromatic |
C2 | C2A | sing | 1.51Å | 1.48Å | |
C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
C2A | H2A1 | sing | 1.09Å | 1.12Å | |
C2A | H2A2 | sing | 1.09Å | 1.11Å | |
C2A | H2A3 | sing | 1.09Å | 1.12Å | |
C3 | O3 | sing | 1.36Å | 1.31Å | |
C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | C4A | sing | 1.47Å | 1.50Å | |
C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
C4A | N | doub | 1.29Å | 1.39Å | |
C4A | H4A | sing | 1.08Å | 1.10Å | |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C5A | sing | 1.51Å | 1.51Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C5A | O4P | sing | 1.43Å | 1.46Å | |
C5A | H5A1 | sing | 1.09Å | 1.11Å | |
C5A | H5A2 | sing | 1.09Å | 1.11Å | |
O4P | P | sing | 1.61Å | 1.53Å | |
P | O1P | doub | 1.48Å | 1.42Å | |
P | O2P | sing | 1.61Å | 1.58Å | |
P | O3P | sing | 1.61Å | 1.48Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
N | CA | sing | 1.47Å | 1.45Å | |
CA | C | sing | 1.51Å | 1.51Å | |
CA | CB | sing | 1.53Å | 1.51Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.31Å | |
C | OXT | sing | 1.34Å | 1.29Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
CB | CG | sing | 1.51Å | 1.53Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD1 | doub | 1.34Å | 1.34Å | Aromatic |
CG | CD2 | sing | 1.47Å | 1.42Å | Aromatic |
CD1 | NE1 | sing | 1.37Å | 1.43Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.10Å | |
NE1 | CE2 | sing | 1.38Å | 1.31Å | Aromatic |
NE1 | HNE | sing | 0.97Å | 1.02Å | |
CE2 | CZ2 | doub | 1.39Å | 1.35Å | Aromatic |
CE2 | CD2 | sing | 1.41Å | 1.39Å | Aromatic |
CZ2 | CH2 | sing | 1.38Å | 1.39Å | Aromatic |
CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
CH2 | CZ3 | doub | 1.39Å | 1.35Å | Aromatic |
CH2 | HH2 | sing | 1.08Å | 1.10Å | |
CZ3 | CE3 | sing | 1.37Å | 1.41Å | Aromatic |
CZ3 | HZ3 | sing | 1.08Å | 1.10Å | |
CE3 | CD2 | doub | 1.40Å | 1.40Å | Aromatic |
CE3 | HE3 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 125.1° | 122.2° |
N1 | C2 | C2A | 121.7° | 119.6° |
N1 | C2 | C3 | 117.8° | 120.8° |
N1 | C6 | C5 | 118.6° | 121.0° |
N1 | C6 | H6 | 119.4° | 119.5° |
C2A | C2 | C3 | 120.5° | 119.6° |
C2 | C2A | H2A1 | 121.7° | 109.5° |
C2 | C2A | H2A2 | 107.9° | 109.4° |
C2 | C2A | H2A3 | 107.9° | 109.5° |
C2 | C3 | O3 | 122.8° | 120.6° |
C2 | C3 | C4 | 118.3° | 118.9° |
H2A1 | C2A | H2A2 | 107.8° | 109.5° |
H2A1 | C2A | H2A3 | 107.8° | 109.5° |
H2A2 | C2A | H2A3 | 102.0° | 109.5° |
O3 | C3 | C4 | 118.9° | 120.6° |
C3 | O3 | HO3 | 122.8° | 106.8° |
C3 | C4 | C4A | 117.4° | 121.0° |
C3 | C4 | C5 | 122.0° | 118.0° |
C4A | C4 | C5 | 120.5° | 121.0° |
C4 | C4A | N | 123.9° | 119.9° |
C4 | C4A | H4A | 122.3° | 120.0° |
C4 | C5 | C6 | 118.2° | 119.1° |
C4 | C5 | C5A | 122.3° | 120.5° |
N | C4A | H4A | 113.8° | 120.0° |
C4A | N | CA | 125.2° | 120.0° |
C6 | C5 | C5A | 119.4° | 120.4° |
C5 | C6 | H6 | 122.0° | 119.5° |
C5 | C5A | O4P | 112.4° | 109.5° |
C5 | C5A | H5A1 | 111.1° | 109.5° |
C5 | C5A | H5A2 | 111.1° | 109.5° |
O4P | C5A | H5A1 | 111.1° | 109.5° |
O4P | C5A | H5A2 | 111.1° | 109.5° |
C5A | O4P | P | 125.5° | 106.8° |
H5A1 | C5A | H5A2 | 99.3° | 109.4° |
O4P | P | O1P | 105.0° | 109.4° |
O4P | P | O2P | 105.9° | 109.5° |
O4P | P | O3P | 113.8° | 109.5° |
O1P | P | O2P | 109.9° | 109.5° |
O1P | P | O3P | 109.9° | 109.5° |
O2P | P | O3P | 112.1° | 109.5° |
P | O2P | HOP2 | 105.8° | 106.8° |
P | O3P | HOP3 | 113.8° | 106.8° |
N | CA | C | 112.6° | 109.5° |
N | CA | CB | 111.2° | 109.5° |
N | CA | HA | 107.0° | 109.4° |
C | CA | CB | 112.3° | 109.5° |
C | CA | HA | 105.8° | 109.4° |
CA | C | O | 118.5° | 120.0° |
CA | C | OXT | 122.8° | 120.0° |
CB | CA | HA | 107.4° | 109.5° |
CA | CB | CG | 116.5° | 109.5° |
CA | CB | HB1 | 109.6° | 109.5° |
CA | CB | HB2 | 109.7° | 109.5° |
O | C | OXT | 118.6° | 120.0° |
C | OXT | HXT | 122.8° | 120.0° |
CG | CB | HB1 | 109.7° | 109.5° |
CG | CB | HB2 | 109.6° | 109.5° |
CB | CG | CD1 | 129.0° | 126.6° |
CB | CG | CD2 | 122.9° | 126.5° |
HB1 | CB | HB2 | 100.6° | 109.4° |
CD1 | CG | CD2 | 108.1° | 106.9° |
CG | CD1 | NE1 | 107.2° | 110.1° |
CG | CD1 | HD1 | 123.8° | 124.9° |
CG | CD2 | CE2 | 106.7° | 106.1° |
CG | CD2 | CE3 | 133.9° | 134.0° |
NE1 | CD1 | HD1 | 129.0° | 125.0° |
CD1 | NE1 | CE2 | 108.8° | 109.8° |
CD1 | NE1 | HNE | 129.1° | 125.1° |
CE2 | NE1 | HNE | 122.1° | 125.1° |
NE1 | CE2 | CZ2 | 127.9° | 133.5° |
NE1 | CE2 | CD2 | 109.2° | 107.1° |
CZ2 | CE2 | CD2 | 122.8° | 119.3° |
CE2 | CZ2 | CH2 | 117.9° | 119.8° |
CE2 | CZ2 | HZ2 | 119.8° | 120.1° |
CE2 | CD2 | CE3 | 119.4° | 119.9° |
CH2 | CZ2 | HZ2 | 122.3° | 120.1° |
CZ2 | CH2 | CZ3 | 121.3° | 120.7° |
CZ2 | CH2 | HH2 | 120.6° | 119.6° |
CZ3 | CH2 | HH2 | 118.1° | 119.7° |
CH2 | CZ3 | CE3 | 121.5° | 120.5° |
CH2 | CZ3 | HZ3 | 117.1° | 119.7° |
CE3 | CZ3 | HZ3 | 121.5° | 119.8° |
CZ3 | CE3 | CD2 | 117.1° | 119.8° |
CZ3 | CE3 | HE3 | 121.9° | 120.1° |
CD2 | CE3 | HE3 | 121.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | C2A | C3 | 179.6° | 179.8° |
N1 | C2 | C2A | H2A1 | 180.0° | 90.0° |
N1 | C2 | C2A | H2A2 | 54.7° | 150.0° |
N1 | C2 | C2A | H2A3 | 54.8° | 30.1° |
N1 | C2 | C3 | O3 | 178.7° | 180.0° |
N1 | C2 | C3 | C4 | 2.1° | 0.5° |
C2 | N1 | C6 | C5 | 0.7° | 0.1° |
C2 | N1 | C6 | H6 | 179.4° | 180.0° |
C6 | N1 | C2 | C2A | 179.2° | 180.0° |
C6 | N1 | C2 | C3 | 1.2° | 0.2° |
N1 | C6 | C5 | C4 | 1.3° | 0.1° |
N1 | C6 | C5 | H6 | 179.9° | 179.9° |
N1 | C6 | C5 | C5A | 178.8° | 180.0° |
C2 | C2A | H2A1 | H2A2 | 125.3° | 119.9° |
C2 | C2A | H2A1 | H2A3 | 125.2° | 120.1° |
C2 | C2A | H2A2 | H2A3 | 113.5° | 120.0° |
C2A | C2 | C3 | O3 | 0.9° | 0.2° |
C2A | C2 | C3 | C4 | 178.2° | 179.7° |
C3 | C2 | C2A | H2A1 | 0.4° | 90.2° |
C3 | C2 | C2A | H2A2 | 125.6° | 29.8° |
C3 | C2 | C2A | H2A3 | 124.8° | 149.7° |
C2 | C3 | O3 | C4 | 179.1° | 179.5° |
C2 | C3 | O3 | HO3 | 180.0° | 90.5° |
C2 | C3 | C4 | C4A | 179.4° | 179.7° |
C2 | C3 | C4 | C5 | 2.8° | 0.5° |
H2A1 | C2A | H2A2 | H2A3 | 113.4° | 120.0° |
O3 | C3 | C4 | C4A | 1.4° | 0.2° |
O3 | C3 | C4 | C5 | 178.0° | 180.0° |
C4 | C3 | O3 | HO3 | 0.9° | 90.0° |
C3 | C4 | C4A | C5 | 176.6° | 179.7° |
C3 | C4 | C4A | N | 40.2° | 0.2° |
C3 | C4 | C4A | H4A | 139.8° | 179.7° |
C3 | C4 | C5 | C6 | 2.4° | 0.2° |
C3 | C4 | C5 | C5A | 179.8° | 179.7° |
C4 | C4A | N | H4A | 180.0° | 180.0° |
C4A | C4 | C5 | C6 | 178.9° | 180.0° |
C4A | C4 | C5 | C5A | 3.7° | 0.0° |
C4 | C4A | N | CA | 176.8° | 180.0° |
C5 | C4 | C4A | N | 136.4° | 180.0° |
C5 | C4 | C4A | H4A | 43.5° | 0.0° |
C4 | C5 | C6 | C5A | 177.5° | 180.0° |
C4 | C5 | C6 | H6 | 178.8° | 180.0° |
C4 | C5 | C5A | O4P | 64.8° | 180.0° |
C4 | C5 | C5A | H5A1 | 170.0° | 59.9° |
C4 | C5 | C5A | H5A2 | 60.4° | 60.0° |
C4A | N | CA | C | 100.0° | 120.0° |
C4A | N | CA | CB | 27.0° | 120.0° |
C4A | N | CA | HA | 144.0° | 0.0° |
H4A | C4A | N | CA | 3.2° | 0.0° |
C6 | C5 | C5A | O4P | 117.8° | 0.0° |
C6 | C5 | C5A | H5A1 | 7.4° | 120.0° |
C6 | C5 | C5A | H5A2 | 116.9° | 120.0° |
C5A | C5 | C6 | H6 | 1.3° | 0.1° |
C5 | C5A | O4P | H5A1 | 125.3° | 120.0° |
C5 | C5A | O4P | H5A2 | 125.2° | 120.0° |
C5 | C5A | H5A1 | H5A2 | 117.0° | 120.0° |
C5 | C5A | O4P | P | 120.6° | 180.0° |
O4P | C5A | H5A1 | H5A2 | 117.0° | 120.0° |
C5A | O4P | P | O1P | 173.2° | 60.0° |
C5A | O4P | P | O2P | 57.0° | 180.0° |
C5A | O4P | P | O3P | 66.6° | 60.0° |
H5A1 | C5A | O4P | P | 4.6° | 59.9° |
H5A2 | C5A | O4P | P | 114.2° | 60.0° |
O4P | P | O1P | O2P | 113.5° | 120.0° |
O4P | P | O1P | O3P | 122.8° | 120.0° |
O4P | P | O2P | O3P | 124.7° | 120.0° |
O4P | P | O2P | HOP2 | 179.9° | 180.0° |
O4P | P | O3P | HOP3 | 179.9° | 60.1° |
O1P | P | O2P | O3P | 122.5° | 120.0° |
O1P | P | O2P | HOP2 | 67.1° | 60.0° |
O1P | P | O3P | HOP3 | 62.5° | 180.0° |
O2P | P | O3P | HOP3 | 60.0° | 59.9° |
O3P | P | O2P | HOP2 | 55.4° | 60.0° |
N | CA | C | CB | 126.5° | 120.0° |
N | CA | C | HA | 116.6° | 119.9° |
N | CA | CB | HA | 116.8° | 120.0° |
N | CA | C | O | 80.8° | 150.0° |
N | CA | C | OXT | 98.0° | 30.1° |
N | CA | CB | CG | 159.9° | 60.0° |
N | CA | CB | HB1 | 34.6° | 60.1° |
N | CA | CB | HB2 | 74.9° | 180.0° |
C | CA | CB | HA | 116.0° | 120.0° |
CA | C | O | OXT | 178.8° | 179.9° |
CA | C | OXT | HXT | 179.9° | 180.0° |
C | CA | CB | CG | 72.9° | 180.0° |
C | CA | CB | HB1 | 161.9° | 60.0° |
C | CA | CB | HB2 | 52.3° | 60.0° |
CB | CA | C | O | 152.8° | 90.0° |
CB | CA | C | OXT | 28.4° | 90.0° |
CA | CB | CG | HB1 | 125.2° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 115.5° | 120.0° |
CA | CB | CG | CD1 | 1.3° | 90.1° |
CA | CB | CG | CD2 | 178.8° | 90.3° |
HA | CA | C | O | 35.9° | 30.1° |
HA | CA | C | OXT | 145.3° | 150.0° |
HA | CA | CB | CG | 43.1° | 60.0° |
HA | CA | CB | HB1 | 82.2° | 180.0° |
HA | CA | CB | HB2 | 168.3° | 60.0° |
O | C | OXT | HXT | 1.3° | 0.1° |
CG | CB | HB1 | HB2 | 115.4° | 120.0° |
CB | CG | CD1 | CD2 | 179.9° | 179.7° |
CB | CG | CD1 | NE1 | 179.6° | 180.0° |
CB | CG | CD1 | HD1 | 0.4° | 0.1° |
CB | CG | CD2 | CE2 | 179.6° | 179.9° |
CB | CG | CD2 | CE3 | 0.4° | 0.8° |
HB1 | CB | CG | CD1 | 123.9° | 29.9° |
HB1 | CB | CG | CD2 | 55.9° | 149.7° |
HB2 | CB | CG | CD1 | 126.6° | 149.9° |
HB2 | CB | CG | CD2 | 53.6° | 29.7° |
CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
CG | CD1 | NE1 | CE2 | 0.4° | 0.1° |
CG | CD1 | NE1 | HNE | 179.6° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.5° | 0.4° |
CD1 | CG | CD2 | CE3 | 179.5° | 179.6° |
CD2 | CG | CD1 | NE1 | 0.5° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.4° | 179.8° |
CG | CD2 | CE2 | NE1 | 0.2° | 0.4° |
CG | CD2 | CE2 | CZ2 | 179.7° | 179.8° |
CG | CD2 | CE2 | CE3 | 180.0° | 179.3° |
CG | CD2 | CE3 | CZ3 | 179.6° | 179.6° |
CG | CD2 | CE3 | HE3 | 0.5° | 0.7° |
CD1 | NE1 | CE2 | HNE | 180.0° | 179.9° |
CD1 | NE1 | CE2 | CZ2 | 179.4° | 180.0° |
CD1 | NE1 | CE2 | CD2 | 0.1° | 0.2° |
HD1 | CD1 | NE1 | CE2 | 179.6° | 180.0° |
HD1 | CD1 | NE1 | HNE | 0.4° | 0.1° |
NE1 | CE2 | CZ2 | CD2 | 179.4° | 179.8° |
NE1 | CE2 | CZ2 | CH2 | 179.5° | 180.0° |
NE1 | CE2 | CZ2 | HZ2 | 0.6° | 0.0° |
NE1 | CE2 | CD2 | CE3 | 179.8° | 179.7° |
HNE | NE1 | CE2 | CZ2 | 0.6° | 0.1° |
HNE | NE1 | CE2 | CD2 | 179.9° | 179.7° |
CE2 | CZ2 | CH2 | HZ2 | 179.9° | 180.0° |
CE2 | CZ2 | CH2 | CZ3 | 1.3° | 0.0° |
CE2 | CZ2 | CH2 | HH2 | 178.7° | 180.0° |
CZ2 | CE2 | CD2 | CE3 | 0.3° | 0.5° |
CD2 | CE2 | CZ2 | CH2 | 1.1° | 0.2° |
CD2 | CE2 | CZ2 | HZ2 | 178.8° | 179.7° |
CE2 | CD2 | CE3 | CZ3 | 0.4° | 0.6° |
CE2 | CD2 | CE3 | HE3 | 179.6° | 179.7° |
CZ2 | CH2 | CZ3 | HH2 | 180.0° | 180.0° |
CZ2 | CH2 | CZ3 | CE3 | 0.7° | 0.1° |
CZ2 | CH2 | CZ3 | HZ3 | 179.3° | 180.0° |
HZ2 | CZ2 | CH2 | CZ3 | 178.6° | 180.0° |
HZ2 | CZ2 | CH2 | HH2 | 1.3° | 0.0° |
CH2 | CZ3 | CE3 | HZ3 | 180.0° | 179.9° |
CH2 | CZ3 | CE3 | CD2 | 0.2° | 0.4° |
CH2 | CZ3 | CE3 | HE3 | 179.7° | 180.0° |
HH2 | CH2 | CZ3 | CE3 | 179.4° | 179.9° |
HH2 | CH2 | CZ3 | HZ3 | 0.7° | 0.0° |
CZ3 | CE3 | CD2 | HE3 | 179.9° | 179.7° |
HZ3 | CZ3 | CE3 | CD2 | 179.8° | 179.7° |
HZ3 | CZ3 | CE3 | HE3 | 0.2° | 0.0° |