HLA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
O5 | C5 | sing | 1.43Å | 1.46Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
O4 | CAM | sing | 1.43Å | 1.47Å | |
O6 | CAM | sing | 1.43Å | 1.47Å | |
CAM | CAN | sing | 1.53Å | 1.54Å | |
CAM | CAO | sing | 1.51Å | 1.55Å | |
CAO | OAP | doub | 1.21Å | 1.25Å | |
CAO | OAQ | sing | 1.34Å | 1.25Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
CAN | H9 | sing | 1.09Å | 1.10Å | |
CAN | H10 | sing | 1.09Å | 1.10Å | |
CAN | H11 | sing | 1.09Å | 1.10Å | |
O2 | H12 | sing | 0.97Å | 0.95Å | |
O3 | H13 | sing | 0.97Å | 0.95Å | |
OAQ | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C1 | 110.0° | 109.6° |
O2 | C2 | C3 | 110.4° | 109.5° |
O2 | C2 | H8 | 110.4° | 109.6° |
C2 | O2 | H12 | 109.5° | 114.0° |
C2 | C1 | O5 | 108.0° | 109.3° |
C1 | C2 | C3 | 107.8° | 109.0° |
C2 | C1 | H6 | 109.8° | 109.5° |
C2 | C1 | H7 | 109.8° | 109.5° |
C1 | C2 | H8 | 109.1° | 109.6° |
C1 | O5 | C5 | 113.1° | 114.4° |
O5 | C1 | H6 | 109.8° | 109.5° |
O5 | C1 | H7 | 109.8° | 109.4° |
C2 | C3 | O3 | 111.0° | 109.5° |
C2 | C3 | C4 | 109.7° | 109.3° |
C2 | C3 | H5 | 108.2° | 109.5° |
C3 | C2 | H8 | 109.1° | 109.5° |
O5 | C5 | C4 | 112.6° | 109.5° |
O5 | C5 | C6 | 108.4° | 108.9° |
O5 | C5 | H2 | 110.1° | 110.4° |
O3 | C3 | C4 | 110.4° | 109.5° |
O3 | C3 | H5 | 109.4° | 109.6° |
C3 | O3 | H13 | 109.5° | 114.0° |
C3 | C4 | C5 | 110.2° | 109.6° |
C3 | C4 | O4 | 113.9° | 109.8° |
C3 | C4 | H1 | 108.1° | 109.5° |
C4 | C3 | H5 | 108.0° | 109.5° |
C4 | C5 | C6 | 107.4° | 108.6° |
C5 | C4 | O4 | 107.0° | 109.0° |
C5 | C4 | H1 | 108.2° | 109.4° |
C4 | C5 | H2 | 109.0° | 109.7° |
C5 | C6 | O6 | 107.8° | 108.8° |
C6 | C5 | H2 | 109.2° | 109.7° |
C5 | C6 | H3 | 109.9° | 109.6° |
C5 | C6 | H4 | 109.9° | 109.6° |
C4 | O4 | CAM | 108.1° | 113.7° |
O4 | C4 | H1 | 109.4° | 109.5° |
C6 | O6 | CAM | 110.0° | 113.9° |
O6 | C6 | H3 | 109.9° | 109.6° |
O6 | C6 | H4 | 109.9° | 109.6° |
O4 | CAM | O6 | 109.6° | 109.5° |
O4 | CAM | CAN | 109.1° | 109.5° |
O4 | CAM | CAO | 110.1° | 109.5° |
O6 | CAM | CAN | 109.0° | 109.4° |
O6 | CAM | CAO | 109.1° | 109.4° |
CAN | CAM | CAO | 109.8° | 109.5° |
CAM | CAN | H9 | 109.5° | 109.5° |
CAM | CAN | H10 | 109.5° | 109.5° |
CAM | CAN | H11 | 109.5° | 109.5° |
CAM | CAO | OAP | 117.1° | 120.0° |
CAM | CAO | OAQ | 117.6° | 120.0° |
OAP | CAO | OAQ | 125.3° | 120.0° |
CAO | OAQ | H14 | 109.5° | 116.9° |
H3 | C6 | H4 | 109.5° | 109.7° |
H6 | C1 | H7 | 109.5° | 109.5° |
H9 | CAN | H10 | 109.5° | 109.5° |
H9 | CAN | H11 | 109.4° | 109.4° |
H10 | CAN | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C1 | C3 | 120.4° | 119.9° |
O2 | C2 | C1 | H8 | 121.2° | 120.3° |
O2 | C2 | C1 | O5 | 175.1° | 177.8° |
O2 | C2 | C3 | H8 | 121.5° | 120.3° |
O2 | C2 | C3 | O3 | 56.2° | 63.3° |
O2 | C2 | C3 | C4 | 178.5° | 176.8° |
O2 | C2 | C3 | H5 | 63.8° | 56.9° |
O2 | C2 | C1 | H6 | 55.4° | 62.2° |
O2 | C2 | C1 | H7 | 65.1° | 58.0° |
C2 | C1 | O5 | H6 | 119.8° | 120.0° |
C2 | C1 | O5 | H7 | 119.8° | 119.9° |
C1 | C2 | C3 | H8 | 118.4° | 119.9° |
C2 | C1 | O5 | C5 | 61.9° | 61.4° |
C1 | C2 | C3 | O3 | 176.3° | 176.9° |
C1 | C2 | C3 | C4 | 61.4° | 56.9° |
C1 | C2 | C3 | H5 | 56.3° | 63.0° |
C2 | C1 | H6 | H7 | 120.7° | 120.1° |
C1 | C2 | O2 | H12 | 180.0° | 60.0° |
O5 | C1 | C2 | C3 | 64.5° | 58.0° |
C1 | O5 | C5 | C4 | 54.9° | 60.4° |
C1 | O5 | C5 | C6 | 173.6° | 179.1° |
C1 | O5 | C5 | H2 | 67.1° | 60.5° |
O5 | C1 | H6 | H7 | 120.7° | 120.0° |
O5 | C1 | C2 | H8 | 53.9° | 61.9° |
C2 | C3 | O3 | C4 | 121.9° | 119.8° |
C2 | C3 | O3 | H5 | 119.3° | 120.1° |
C2 | C3 | C4 | H5 | 117.8° | 119.9° |
C2 | C3 | C4 | C5 | 53.4° | 56.2° |
C2 | C3 | C4 | O4 | 66.8° | 63.5° |
C2 | C3 | C4 | H1 | 171.4° | 176.3° |
C3 | C2 | C1 | H6 | 175.8° | 178.0° |
C3 | C2 | C1 | H7 | 55.3° | 61.9° |
C3 | C2 | O2 | H12 | 61.2° | 179.5° |
C2 | C3 | O3 | H13 | 180.0° | 60.2° |
O5 | C5 | C4 | C3 | 49.3° | 56.4° |
O5 | C5 | C4 | C6 | 119.2° | 118.8° |
O5 | C5 | C4 | H2 | 122.6° | 121.3° |
O5 | C5 | C6 | H2 | 120.0° | 120.9° |
O5 | C5 | C4 | O4 | 74.9° | 63.8° |
O5 | C5 | C6 | O6 | 145.8° | 64.3° |
O5 | C5 | C4 | H1 | 167.3° | 176.5° |
O5 | C5 | C6 | H3 | 26.1° | 55.5° |
O5 | C5 | C6 | H4 | 94.5° | 175.9° |
C5 | O5 | C1 | H6 | 178.3° | 178.6° |
C5 | O5 | C1 | H7 | 57.9° | 58.5° |
O3 | C3 | C4 | H5 | 119.6° | 120.2° |
O3 | C3 | C4 | C5 | 176.0° | 176.1° |
O3 | C3 | C4 | O4 | 55.8° | 56.4° |
O3 | C3 | C4 | H1 | 66.0° | 63.8° |
O3 | C3 | C2 | H8 | 65.3° | 57.0° |
C3 | C4 | C5 | O4 | 124.3° | 120.2° |
C3 | C4 | C5 | H1 | 117.9° | 120.1° |
C3 | C4 | C5 | C6 | 168.6° | 175.2° |
C3 | C4 | O4 | H1 | 121.0° | 120.2° |
C3 | C4 | O4 | CAM | 163.6° | 178.2° |
C3 | C4 | C5 | H2 | 73.2° | 64.9° |
C4 | C3 | C2 | H8 | 57.0° | 62.9° |
C4 | C3 | O3 | H13 | 58.1° | 180.0° |
C4 | C5 | C6 | H2 | 118.1° | 119.8° |
C5 | C4 | O4 | H1 | 116.9° | 119.7° |
C4 | C5 | C6 | O6 | 23.9° | 54.9° |
C5 | C4 | O4 | CAM | 74.3° | 58.1° |
C4 | C5 | C6 | H3 | 95.9° | 174.7° |
C4 | C5 | C6 | H4 | 143.6° | 64.9° |
C5 | C4 | C3 | H5 | 64.4° | 63.7° |
C6 | C5 | C4 | O4 | 44.3° | 55.0° |
C5 | C6 | O6 | H3 | 119.7° | 119.8° |
C5 | C6 | O6 | H4 | 119.8° | 119.8° |
C5 | C6 | O6 | CAM | 70.6° | 58.1° |
C6 | C5 | C4 | H1 | 73.5° | 64.7° |
C5 | C6 | H3 | H4 | 120.8° | 120.3° |
C4 | O4 | CAM | O6 | 29.0° | 58.4° |
C4 | O4 | CAM | CAN | 148.3° | 178.4° |
C4 | O4 | CAM | CAO | 91.0° | 61.5° |
O4 | C4 | C5 | H2 | 162.5° | 174.9° |
O4 | C4 | C3 | H5 | 175.4° | 176.6° |
C6 | O6 | CAM | O4 | 42.4° | 58.5° |
C6 | O6 | CAM | CAN | 77.0° | 178.5° |
C6 | O6 | CAM | CAO | 163.1° | 61.5° |
O6 | C6 | C5 | H2 | 94.3° | 174.7° |
O6 | C6 | H3 | H4 | 120.8° | 120.3° |
O4 | CAM | O6 | CAN | 119.4° | 120.0° |
O4 | CAM | O6 | CAO | 120.7° | 120.0° |
O4 | CAM | CAN | CAO | 120.8° | 120.0° |
O4 | CAM | CAO | OAP | 27.7° | 5.0° |
O4 | CAM | CAO | OAQ | 152.5° | 175.0° |
CAM | O4 | C4 | H1 | 42.6° | 61.6° |
O4 | CAM | CAN | H9 | 180.0° | 60.0° |
O4 | CAM | CAN | H10 | 60.0° | 60.0° |
O4 | CAM | CAN | H11 | 60.0° | 180.0° |
O6 | CAM | CAN | CAO | 119.4° | 119.9° |
O6 | CAM | CAO | OAP | 148.0° | 115.0° |
O6 | CAM | CAO | OAQ | 32.2° | 64.9° |
CAM | O6 | C6 | H3 | 49.1° | 177.9° |
CAM | O6 | C6 | H4 | 169.6° | 61.7° |
O6 | CAM | CAN | H9 | 60.3° | 179.9° |
O6 | CAM | CAN | H10 | 179.7° | 60.1° |
O6 | CAM | CAN | H11 | 59.7° | 60.0° |
CAN | CAM | CAO | OAP | 92.6° | 125.0° |
CAN | CAM | CAO | OAQ | 87.2° | 55.0° |
CAM | CAN | H9 | H10 | 120.0° | 120.0° |
CAM | CAN | H9 | H11 | 120.0° | 120.0° |
CAM | CAN | H10 | H11 | 120.0° | 120.1° |
CAM | CAO | OAP | OAQ | 179.8° | 180.0° |
CAO | CAM | CAN | H9 | 59.2° | 60.0° |
CAO | CAM | CAN | H10 | 60.8° | 180.0° |
CAO | CAM | CAN | H11 | 179.1° | 60.0° |
CAM | CAO | OAQ | H14 | 179.8° | 179.9° |
OAP | CAO | OAQ | H14 | 0.0° | 0.1° |
H1 | C4 | C5 | H2 | 44.7° | 55.1° |
H1 | C4 | C3 | H5 | 53.6° | 56.4° |
H2 | C5 | C6 | H3 | 146.0° | 65.5° |
H2 | C5 | C6 | H4 | 25.5° | 55.0° |
H5 | C3 | C2 | H8 | 174.7° | 177.1° |
H5 | C3 | O3 | H13 | 60.7° | 59.8° |
H6 | C1 | C2 | H8 | 65.8° | 58.1° |
H7 | C1 | C2 | H8 | 173.7° | 178.3° |
H8 | C2 | O2 | H12 | 59.5° | 60.3° |
H9 | CAN | H10 | H11 | 119.9° | 119.9° |