YPG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAJ | PBF | doub | 1.48Å | 1.51Å | |
OAI | PBF | sing | 1.61Å | 1.50Å | |
OAF | CAZ | sing | 1.43Å | 1.40Å | |
PBF | CAZ | sing | 1.82Å | 1.85Å | |
PBF | OAE | sing | 1.61Å | 1.51Å | |
CAZ | CAN | sing | 1.53Å | 1.52Å | |
CAN | OAT | sing | 1.43Å | 1.39Å | |
OAT | CBA | sing | 1.43Å | 1.45Å | |
CBA | CAO | sing | 1.54Å | 1.33Å | |
CBA | CBB | sing | 1.55Å | 1.54Å | |
CAO | NBC | sing | 1.47Å | 1.61Å | |
OAH | PBE | doub | 1.48Å | 1.51Å | |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
CBB | N9 | sing | 1.47Å | 1.39Å | |
CBB | CAP | sing | 1.55Å | 1.53Å | |
N9 | C4 | sing | 1.37Å | 1.31Å | Aromatic |
CAL | CAM | sing | 1.53Å | 1.52Å | |
CAL | CAU | sing | 1.51Å | 1.53Å | |
NBC | CAU | sing | 1.35Å | 1.45Å | |
NBC | CAP | sing | 1.47Å | 1.33Å | |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | |
C4 | N3 | sing | 1.34Å | 1.32Å | |
CAM | PBE | sing | 1.82Å | 1.86Å | |
PBE | OAG | sing | 1.61Å | 1.51Å | |
PBE | OAD | sing | 1.61Å | 1.51Å | |
CAU | OAB | doub | 1.21Å | 1.19Å | |
O6 | C6 | doub | 1.22Å | 1.39Å | |
C6 | N1 | sing | 1.35Å | 1.32Å | |
N3 | C2 | doub | 1.31Å | 1.30Å | |
N1 | C2 | sing | 1.36Å | 1.33Å | |
C2 | N2 | sing | 1.37Å | 1.45Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
N2 | H3 | sing | 0.97Å | 1.00Å | |
N2 | H4 | sing | 0.97Å | 1.00Å | |
OAI | H5 | sing | 0.97Å | 0.95Å | |
OAE | H6 | sing | 0.97Å | 0.95Å | |
CAZ | H7 | sing | 1.09Å | 1.10Å | |
OAF | H8 | sing | 0.97Å | 0.95Å | |
CAN | H9 | sing | 1.09Å | 1.10Å | |
CAN | H10 | sing | 1.09Å | 1.10Å | |
CBA | H11 | sing | 1.09Å | 1.10Å | |
CAO | H12 | sing | 1.09Å | 1.10Å | |
CAO | H13 | sing | 1.09Å | 1.10Å | |
CAL | H14 | sing | 1.09Å | 1.10Å | |
CAL | H15 | sing | 1.09Å | 1.10Å | |
CAM | H16 | sing | 1.09Å | 1.10Å | |
CAM | H17 | sing | 1.09Å | 1.10Å | |
OAG | H18 | sing | 0.97Å | 0.95Å | |
OAD | H19 | sing | 0.97Å | 0.95Å | |
CAP | H20 | sing | 1.09Å | 1.10Å | |
CAP | H21 | sing | 1.09Å | 1.10Å | |
CBB | H22 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAJ | PBF | OAI | 107.5° | 109.5° |
OAJ | PBF | CAZ | 112.6° | 109.4° |
OAJ | PBF | OAE | 111.3° | 109.5° |
OAI | PBF | CAZ | 107.8° | 109.4° |
OAI | PBF | OAE | 110.4° | 109.5° |
PBF | OAI | H5 | 109.5° | 114.0° |
OAF | CAZ | PBF | 111.8° | 109.5° |
OAF | CAZ | CAN | 111.1° | 109.5° |
OAF | CAZ | H7 | 111.1° | 109.4° |
CAZ | OAF | H8 | 109.5° | 114.0° |
CAZ | PBF | OAE | 107.1° | 109.5° |
PBF | CAZ | CAN | 107.2° | 109.5° |
PBF | CAZ | H7 | 105.8° | 109.5° |
PBF | OAE | H6 | 109.5° | 114.0° |
CAZ | CAN | OAT | 107.6° | 109.5° |
CAN | CAZ | H7 | 109.5° | 109.5° |
CAZ | CAN | H9 | 110.0° | 109.5° |
CAZ | CAN | H10 | 110.0° | 109.5° |
CAN | OAT | CBA | 115.7° | 114.0° |
OAT | CAN | H9 | 109.9° | 109.4° |
OAT | CAN | H10 | 109.9° | 109.5° |
OAT | CBA | CAO | 109.3° | 110.7° |
OAT | CBA | CBB | 101.6° | 110.7° |
OAT | CBA | H11 | 114.5° | 110.7° |
CAO | CBA | CBB | 99.5° | 102.9° |
CBA | CAO | NBC | 108.2° | 107.3° |
CAO | CBA | H11 | 116.9° | 110.7° |
CBA | CAO | H12 | 109.8° | 109.9° |
CBA | CAO | H13 | 109.8° | 109.9° |
CBA | CBB | N9 | 116.1° | 111.0° |
CBA | CBB | CAP | 103.5° | 101.6° |
CBB | CBA | H11 | 113.0° | 110.9° |
CBA | CBB | H22 | 104.2° | 111.0° |
CAO | NBC | CAU | 124.6° | 125.7° |
CAO | NBC | CAP | 107.1° | 108.7° |
NBC | CAO | H12 | 109.8° | 109.9° |
NBC | CAO | H13 | 109.8° | 109.9° |
OAH | PBE | CAM | 107.9° | 109.5° |
OAH | PBE | OAG | 109.3° | 109.5° |
OAH | PBE | OAD | 109.9° | 109.5° |
N7 | C8 | N9 | 110.7° | 109.8° |
C8 | N7 | C5 | 106.4° | 109.4° |
N7 | C8 | H1 | 124.6° | 125.1° |
C8 | N9 | CBB | 131.7° | 126.3° |
C8 | N9 | C4 | 107.2° | 107.5° |
N9 | C8 | H1 | 124.6° | 125.1° |
N7 | C5 | C4 | 107.5° | 107.3° |
N7 | C5 | C6 | 135.8° | 134.2° |
N9 | CBB | CAP | 121.0° | 111.0° |
CBB | N9 | C4 | 120.9° | 126.3° |
N9 | CBB | H22 | 105.9° | 110.9° |
CBB | CAP | NBC | 98.3° | 104.8° |
CBB | CAP | H20 | 112.2° | 110.4° |
CBB | CAP | H21 | 112.2° | 110.5° |
CAP | CBB | H22 | 104.3° | 111.0° |
N9 | C4 | C5 | 108.1° | 106.1° |
N9 | C4 | N3 | 130.0° | 134.2° |
CAM | CAL | CAU | 111.5° | 109.5° |
CAL | CAM | PBE | 109.4° | 109.5° |
CAM | CAL | H14 | 109.0° | 109.5° |
CAM | CAL | H15 | 109.0° | 109.5° |
CAL | CAM | H16 | 109.5° | 109.5° |
CAL | CAM | H17 | 109.5° | 109.5° |
CAL | CAU | NBC | 119.6° | 120.0° |
CAL | CAU | OAB | 120.1° | 120.0° |
CAU | CAL | H14 | 109.0° | 109.4° |
CAU | CAL | H15 | 109.0° | 109.5° |
CAU | NBC | CAP | 128.3° | 125.6° |
NBC | CAU | OAB | 120.3° | 120.0° |
NBC | CAP | H20 | 112.2° | 110.4° |
NBC | CAP | H21 | 112.2° | 110.4° |
C4 | C5 | C6 | 116.8° | 118.6° |
C5 | C4 | N3 | 121.9° | 119.7° |
C5 | C6 | O6 | 121.8° | 120.8° |
C5 | C6 | N1 | 117.7° | 118.4° |
C4 | N3 | C2 | 120.2° | 121.1° |
CAM | PBE | OAG | 107.6° | 109.5° |
CAM | PBE | OAD | 110.3° | 109.5° |
PBE | CAM | H16 | 109.5° | 109.5° |
PBE | CAM | H17 | 109.5° | 109.4° |
OAG | PBE | OAD | 111.7° | 109.5° |
PBE | OAG | H18 | 109.5° | 114.0° |
PBE | OAD | H19 | 109.5° | 114.0° |
O6 | C6 | N1 | 120.4° | 120.8° |
C6 | N1 | C2 | 123.2° | 120.3° |
C6 | N1 | H2 | 118.4° | 119.8° |
N3 | C2 | N1 | 120.3° | 122.0° |
N3 | C2 | N2 | 117.1° | 119.0° |
N1 | C2 | N2 | 122.6° | 119.0° |
C2 | N1 | H2 | 118.4° | 119.9° |
C2 | N2 | H3 | 120.0° | 120.0° |
C2 | N2 | H4 | 120.0° | 120.0° |
H3 | N2 | H4 | 120.0° | 120.0° |
H9 | CAN | H10 | 109.5° | 109.4° |
H12 | CAO | H13 | 109.5° | 109.9° |
H14 | CAL | H15 | 109.5° | 109.5° |
H16 | CAM | H17 | 109.5° | 109.5° |
H20 | CAP | H21 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAJ | PBF | OAI | CAZ | 121.6° | 120.0° |
OAJ | PBF | OAI | OAE | 121.6° | 120.1° |
OAJ | PBF | CAZ | OAF | 61.3° | 180.0° |
OAJ | PBF | CAZ | OAE | 122.7° | 120.0° |
OAJ | PBF | CAZ | CAN | 60.7° | 60.0° |
OAJ | PBF | OAI | H5 | 0.0° | 60.0° |
OAJ | PBF | OAE | H6 | 0.0° | 180.0° |
OAJ | PBF | CAZ | H7 | 177.5° | 60.1° |
OAI | PBF | CAZ | OAF | 57.1° | 60.0° |
OAI | PBF | CAZ | OAE | 118.8° | 120.0° |
OAI | PBF | CAZ | CAN | 179.1° | 180.0° |
OAI | PBF | OAE | H6 | 119.3° | 59.9° |
OAI | PBF | CAZ | H7 | 64.1° | 59.9° |
OAF | CAZ | PBF | CAN | 122.0° | 120.0° |
OAF | CAZ | PBF | H7 | 121.2° | 119.9° |
OAF | CAZ | PBF | OAE | 175.9° | 60.0° |
OAF | CAZ | CAN | H7 | 123.2° | 120.0° |
OAF | CAZ | CAN | OAT | 74.4° | 60.0° |
OAF | CAZ | CAN | H9 | 165.9° | 60.0° |
OAF | CAZ | CAN | H10 | 45.3° | 180.0° |
PBF | CAZ | CAN | H7 | 114.4° | 120.1° |
PBF | CAZ | CAN | OAT | 163.2° | 60.0° |
CAZ | PBF | OAI | H5 | 121.6° | 180.0° |
CAZ | PBF | OAE | H6 | 123.5° | 60.1° |
PBF | CAZ | OAF | H8 | 180.0° | 60.0° |
PBF | CAZ | CAN | H9 | 43.5° | 180.0° |
PBF | CAZ | CAN | H10 | 77.1° | 60.0° |
OAE | PBF | CAZ | CAN | 62.0° | 60.0° |
OAE | PBF | OAI | H5 | 121.6° | 60.1° |
OAE | PBF | CAZ | H7 | 54.8° | 179.9° |
CAZ | CAN | OAT | H9 | 119.7° | 120.0° |
CAZ | CAN | OAT | H10 | 119.7° | 120.1° |
CAZ | CAN | OAT | CBA | 65.5° | 180.0° |
CAN | CAZ | OAF | H8 | 60.3° | 60.0° |
CAZ | CAN | H9 | H10 | 120.9° | 120.0° |
CAN | OAT | CBA | CAO | 122.2° | 91.5° |
CAN | OAT | CBA | CBB | 133.3° | 155.0° |
OAT | CAN | CAZ | H7 | 48.8° | 179.9° |
OAT | CAN | H9 | H10 | 120.8° | 119.9° |
CAN | OAT | CBA | H11 | 11.2° | 31.6° |
OAT | CBA | CAO | CBB | 106.0° | 118.3° |
OAT | CBA | CAO | H11 | 132.1° | 123.1° |
OAT | CBA | CBB | H11 | 123.1° | 123.3° |
OAT | CBA | CAO | NBC | 128.5° | 140.5° |
OAT | CBA | CBB | N9 | 69.5° | 88.1° |
OAT | CBA | CBB | CAP | 155.4° | 153.8° |
CBA | OAT | CAN | H9 | 54.2° | 60.0° |
CBA | OAT | CAN | H10 | 174.7° | 59.9° |
OAT | CBA | CAO | H12 | 8.7° | 21.0° |
OAT | CBA | CAO | H13 | 111.7° | 100.0° |
OAT | CBA | CBB | H22 | 46.5° | 35.7° |
CAO | CBA | CBB | H11 | 124.8° | 118.4° |
CBA | CAO | NBC | H12 | 119.8° | 119.5° |
CBA | CAO | NBC | H13 | 119.8° | 119.4° |
CAO | CBA | CBB | N9 | 178.4° | 153.6° |
CAO | CBA | CBB | CAP | 43.3° | 35.5° |
CBA | CAO | NBC | CAU | 173.1° | 179.0° |
CBA | CAO | NBC | CAP | 7.1° | 1.1° |
CBA | CAO | H12 | H13 | 120.6° | 121.0° |
CAO | CBA | CBB | H22 | 65.6° | 82.6° |
CBB | CBA | CAO | NBC | 22.6° | 22.2° |
CBA | CBB | N9 | C8 | 6.9° | 60.0° |
CBA | CBB | N9 | CAP | 126.8° | 112.2° |
CBA | CBB | N9 | H22 | 115.1° | 123.9° |
CBA | CBB | CAP | H22 | 108.8° | 118.1° |
CBA | CBB | N9 | C4 | 167.0° | 120.2° |
CBA | CBB | CAP | NBC | 47.7° | 37.0° |
CBB | CBA | CAO | H12 | 97.2° | 97.3° |
CBB | CBA | CAO | H13 | 142.4° | 141.7° |
CBA | CBB | CAP | H20 | 70.4° | 155.9° |
CBA | CBB | CAP | H21 | 165.8° | 81.9° |
CAO | NBC | CAP | CBB | 32.6° | 24.1° |
CAO | NBC | CAU | CAL | 0.6° | 0.0° |
CAO | NBC | CAU | CAP | 179.8° | 179.9° |
CAO | NBC | CAU | OAB | 179.9° | 179.9° |
NBC | CAO | CBA | H11 | 99.4° | 96.3° |
NBC | CAO | H12 | H13 | 120.6° | 121.1° |
CAO | NBC | CAP | H20 | 85.5° | 143.0° |
CAO | NBC | CAP | H21 | 150.8° | 94.8° |
OAH | PBE | CAM | CAL | 51.3° | 55.0° |
OAH | PBE | CAM | OAG | 117.8° | 120.0° |
OAH | PBE | CAM | OAD | 120.1° | 120.0° |
OAH | PBE | OAG | OAD | 121.9° | 120.0° |
OAH | PBE | CAM | H16 | 68.7° | 175.0° |
OAH | PBE | CAM | H17 | 171.3° | 65.0° |
OAH | PBE | OAG | H18 | 0.0° | 60.0° |
OAH | PBE | OAD | H19 | 0.0° | 180.0° |
N7 | C8 | N9 | H1 | 180.0° | 179.9° |
N7 | C8 | N9 | CBB | 176.3° | 180.0° |
N7 | C8 | N9 | C4 | 1.7° | 0.2° |
C8 | N7 | C5 | C4 | 0.1° | 0.1° |
C8 | N7 | C5 | C6 | 179.8° | 179.9° |
N9 | C8 | N7 | C5 | 0.9° | 0.1° |
C8 | N9 | CBB | C4 | 174.0° | 179.8° |
C8 | N9 | CBB | CAP | 119.9° | 52.2° |
C8 | N9 | C4 | C5 | 1.7° | 0.2° |
C8 | N9 | C4 | N3 | 178.9° | 180.0° |
C8 | N9 | CBB | H22 | 122.0° | 176.1° |
N7 | C5 | C4 | N9 | 1.2° | 0.2° |
N7 | C5 | C4 | C6 | 179.7° | 180.0° |
N7 | C5 | C4 | N3 | 179.4° | 180.0° |
N7 | C5 | C6 | O6 | 0.4° | 0.1° |
N7 | C5 | C6 | N1 | 179.5° | 180.0° |
C5 | N7 | C8 | H1 | 179.0° | 180.0° |
N9 | CBB | CAP | H22 | 118.9° | 123.8° |
N9 | CBB | CAP | NBC | 180.0° | 155.1° |
CBB | N9 | C4 | C5 | 177.0° | 179.9° |
CBB | N9 | C4 | N3 | 3.6° | 0.2° |
CBB | N9 | C8 | H1 | 3.7° | 0.1° |
N9 | CBB | CBA | H11 | 53.7° | 35.1° |
N9 | CBB | CAP | H20 | 61.9° | 86.0° |
N9 | CBB | CAP | H21 | 61.9° | 36.2° |
CAP | CBB | N9 | C4 | 66.1° | 127.6° |
CBB | CAP | NBC | CAU | 147.6° | 155.9° |
CBB | CAP | NBC | H20 | 118.1° | 118.8° |
CBB | CAP | NBC | H21 | 118.1° | 118.9° |
CAP | CBB | CBA | H11 | 81.4° | 82.9° |
CBB | CAP | H20 | H21 | 125.2° | 122.3° |
N9 | C4 | C5 | N3 | 179.4° | 179.8° |
N9 | C4 | C5 | C6 | 179.1° | 179.8° |
N9 | C4 | N3 | C2 | 178.9° | 179.7° |
C4 | N9 | C8 | H1 | 178.3° | 179.9° |
C4 | N9 | CBB | H22 | 52.0° | 3.7° |
CAM | CAL | CAU | H14 | 120.3° | 120.0° |
CAM | CAL | CAU | H15 | 120.3° | 120.0° |
CAM | CAL | CAU | NBC | 173.5° | 180.0° |
CAL | CAM | PBE | H16 | 120.0° | 120.0° |
CAL | CAM | PBE | H17 | 120.0° | 120.0° |
CAL | CAM | PBE | OAG | 169.2° | 175.0° |
CAL | CAM | PBE | OAD | 68.7° | 65.0° |
CAM | CAL | CAU | OAB | 7.2° | 0.0° |
CAM | CAL | H14 | H15 | 119.1° | 120.0° |
CAL | CAM | H16 | H17 | 120.0° | 120.0° |
CAL | CAU | NBC | OAB | 179.3° | 180.0° |
CAL | CAU | NBC | CAP | 179.1° | 180.0° |
CAU | CAL | CAM | PBE | 71.6° | 180.0° |
CAU | CAL | H14 | H15 | 119.1° | 120.0° |
CAU | CAL | CAM | H16 | 168.4° | 60.0° |
CAU | CAL | CAM | H17 | 48.4° | 60.0° |
CAU | NBC | CAO | H12 | 53.3° | 59.5° |
CAU | NBC | CAO | H13 | 67.1° | 61.6° |
NBC | CAU | CAL | H14 | 66.2° | 60.0° |
NBC | CAU | CAL | H15 | 53.3° | 60.0° |
CAU | NBC | CAP | H20 | 94.3° | 37.1° |
CAU | NBC | CAP | H21 | 29.4° | 85.1° |
CAP | NBC | CAU | OAB | 0.1° | 0.0° |
CAP | NBC | CAO | H12 | 126.8° | 120.6° |
CAP | NBC | CAO | H13 | 112.7° | 118.4° |
NBC | CAP | H20 | H21 | 125.2° | 122.3° |
NBC | CAP | CBB | H22 | 61.1° | 81.1° |
C4 | C5 | C6 | O6 | 180.0° | 180.0° |
C4 | C5 | C6 | N1 | 0.2° | 0.0° |
C5 | C4 | N3 | C2 | 0.4° | 0.0° |
C6 | C5 | C4 | N3 | 0.3° | 0.0° |
C5 | C6 | O6 | N1 | 179.9° | 179.9° |
C5 | C6 | N1 | C2 | 0.0° | 0.0° |
C5 | C6 | N1 | H2 | 180.0° | 180.0° |
C4 | N3 | C2 | N1 | 0.2° | 0.1° |
C4 | N3 | C2 | N2 | 179.7° | 180.0° |
CAM | PBE | OAG | OAD | 121.2° | 120.0° |
PBE | CAM | CAL | H14 | 168.1° | 60.0° |
PBE | CAM | CAL | H15 | 48.7° | 60.0° |
PBE | CAM | H16 | H17 | 120.0° | 120.0° |
CAM | PBE | OAG | H18 | 116.9° | 180.0° |
CAM | PBE | OAD | H19 | 118.8° | 60.0° |
OAG | PBE | CAM | H16 | 49.2° | 65.0° |
OAG | PBE | CAM | H17 | 70.9° | 55.0° |
OAG | PBE | OAD | H19 | 121.5° | 60.0° |
OAD | PBE | CAM | H16 | 171.3° | 55.0° |
OAD | PBE | CAM | H17 | 51.2° | 175.0° |
OAD | PBE | OAG | H18 | 121.9° | 60.0° |
OAB | CAU | CAL | H14 | 113.1° | 120.0° |
OAB | CAU | CAL | H15 | 127.5° | 120.0° |
O6 | C6 | N1 | C2 | 179.9° | 179.9° |
O6 | C6 | N1 | H2 | 0.1° | 0.0° |
C6 | N1 | C2 | N3 | 0.1° | 0.1° |
C6 | N1 | C2 | H2 | 180.0° | 179.9° |
C6 | N1 | C2 | N2 | 179.9° | 180.0° |
N3 | C2 | N1 | N2 | 180.0° | 179.9° |
N3 | C2 | N1 | H2 | 179.9° | 180.0° |
N3 | C2 | N2 | H3 | 0.0° | 180.0° |
N3 | C2 | N2 | H4 | 180.0° | 0.1° |
N1 | C2 | N2 | H3 | 179.9° | 0.1° |
N1 | C2 | N2 | H4 | 0.0° | 180.0° |
N2 | C2 | N1 | H2 | 0.1° | 0.1° |
C2 | N2 | H3 | H4 | 180.0° | 179.8° |
H7 | CAZ | OAF | H8 | 61.9° | 180.0° |
H7 | CAZ | CAN | H9 | 70.9° | 60.0° |
H7 | CAZ | CAN | H10 | 168.5° | 60.0° |
H11 | CBA | CAO | H12 | 140.8° | 144.2° |
H11 | CBA | CAO | H13 | 20.4° | 23.1° |
H11 | CBA | CBB | H22 | 169.7° | 159.0° |
H14 | CAL | CAM | H16 | 48.1° | 180.0° |
H14 | CAL | CAM | H17 | 71.9° | 60.0° |
H15 | CAL | CAM | H16 | 71.3° | 60.0° |
H15 | CAL | CAM | H17 | 168.7° | 180.0° |
H20 | CAP | CBB | H22 | 179.3° | 37.8° |
H21 | CAP | CBB | H22 | 57.0° | 160.0° |