6WA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | PAZ | doub | 1.48Å | 1.51Å | |
| OAC | PAZ | sing | 1.61Å | 1.51Å | |
| PAZ | CAO | sing | 1.82Å | 1.83Å | |
| PAZ | OAG | sing | 1.61Å | 1.51Å | |
| CAO | CAK | sing | 1.53Å | 1.54Å | |
| OAE | PAY | doub | 1.48Å | 1.51Å | |
| CAK | CAM | sing | 1.53Å | 1.55Å | |
| CAM | NAX | sing | 1.47Å | 1.47Å | |
| PAY | OAD | sing | 1.61Å | 1.51Å | |
| PAY | OAB | sing | 1.61Å | 1.51Å | |
| PAY | CAN | sing | 1.82Å | 1.83Å | |
| CAJ | CAN | sing | 1.53Å | 1.54Å | |
| CAJ | CAL | sing | 1.53Å | 1.55Å | |
| CAP | NAX | sing | 1.47Å | 1.46Å | |
| CAP | CAT | sing | 1.51Å | 1.54Å | |
| NAX | CAL | sing | 1.47Å | 1.46Å | |
| CAT | CAI | doub | 1.35Å | 1.41Å | Aromatic |
| CAT | CAV | sing | 1.41Å | 1.43Å | Aromatic |
| CAI | NAS | sing | 1.36Å | 1.33Å | Aromatic |
| CAV | NAQ | sing | 1.35Å | 1.36Å | |
| CAV | CAW | doub | 1.40Å | 1.40Å | Aromatic |
| NAQ | CAH | doub | 1.30Å | 1.33Å | |
| NAS | CAW | sing | 1.37Å | 1.34Å | Aromatic |
| CAW | CAU | sing | 1.41Å | 1.43Å | |
| CAH | NAR | sing | 1.36Å | 1.33Å | |
| CAU | NAR | sing | 1.35Å | 1.35Å | |
| CAU | OAA | doub | 1.22Å | 1.41Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| OAB | H2 | sing | 0.97Å | 0.95Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| OAG | H16 | sing | 0.97Å | 0.95Å | |
| OAC | H17 | sing | 0.97Å | 0.95Å | |
| CAP | H18 | sing | 1.09Å | 1.10Å | |
| CAP | H19 | sing | 1.09Å | 1.10Å | |
| CAH | H20 | sing | 1.08Å | 1.08Å | |
| NAR | H21 | sing | 0.97Å | 1.00Å | |
| NAS | H22 | sing | 0.97Å | 1.00Å | |
| CAI | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | PAZ | OAC | 110.0° | 109.4° |
| OAF | PAZ | CAO | 109.1° | 109.5° |
| OAF | PAZ | OAG | 109.5° | 109.5° |
| OAC | PAZ | CAO | 109.1° | 109.5° |
| OAC | PAZ | OAG | 109.6° | 109.5° |
| PAZ | OAC | H17 | 109.5° | 114.0° |
| CAO | PAZ | OAG | 109.6° | 109.5° |
| PAZ | CAO | CAK | 111.2° | 109.5° |
| PAZ | CAO | H14 | 109.0° | 109.5° |
| PAZ | CAO | H15 | 109.0° | 109.5° |
| PAZ | OAG | H16 | 109.5° | 114.0° |
| CAO | CAK | CAM | 111.9° | 109.5° |
| CAO | CAK | H12 | 108.9° | 109.5° |
| CAO | CAK | H13 | 108.9° | 109.5° |
| CAK | CAO | H14 | 109.0° | 109.5° |
| CAK | CAO | H15 | 109.0° | 109.4° |
| OAE | PAY | OAD | 109.9° | 109.5° |
| OAE | PAY | OAB | 109.1° | 109.5° |
| OAE | PAY | CAN | 109.6° | 109.5° |
| CAK | CAM | NAX | 109.8° | 109.5° |
| CAK | CAM | H10 | 109.4° | 109.5° |
| CAK | CAM | H11 | 109.4° | 109.5° |
| CAM | CAK | H12 | 108.9° | 109.5° |
| CAM | CAK | H13 | 108.9° | 109.5° |
| CAM | NAX | CAP | 107.3° | 111.0° |
| CAM | NAX | CAL | 107.5° | 111.1° |
| NAX | CAM | H10 | 109.4° | 109.5° |
| NAX | CAM | H11 | 109.4° | 109.4° |
| OAD | PAY | OAB | 108.9° | 109.5° |
| OAD | PAY | CAN | 109.6° | 109.5° |
| PAY | OAD | H1 | 109.5° | 114.0° |
| OAB | PAY | CAN | 109.8° | 109.5° |
| PAY | OAB | H2 | 109.5° | 114.0° |
| PAY | CAN | CAJ | 112.5° | 109.5° |
| PAY | CAN | H3 | 108.7° | 109.4° |
| PAY | CAN | H4 | 108.7° | 109.5° |
| CAN | CAJ | CAL | 111.8° | 109.5° |
| CAJ | CAN | H3 | 108.7° | 109.5° |
| CAJ | CAN | H4 | 108.7° | 109.5° |
| CAN | CAJ | H5 | 108.9° | 109.5° |
| CAN | CAJ | H6 | 108.9° | 109.5° |
| CAJ | CAL | NAX | 112.1° | 109.5° |
| CAL | CAJ | H5 | 108.9° | 109.4° |
| CAL | CAJ | H6 | 108.9° | 109.5° |
| CAJ | CAL | H7 | 108.8° | 109.5° |
| CAJ | CAL | H8 | 108.8° | 109.5° |
| NAX | CAP | CAT | 110.0° | 109.5° |
| CAP | NAX | CAL | 112.5° | 111.0° |
| NAX | CAP | H18 | 109.4° | 109.5° |
| NAX | CAP | H19 | 109.3° | 109.4° |
| CAP | CAT | CAI | 127.3° | 126.1° |
| CAP | CAT | CAV | 126.8° | 126.0° |
| CAT | CAP | H18 | 109.3° | 109.5° |
| CAT | CAP | H19 | 109.3° | 109.4° |
| NAX | CAL | H7 | 108.8° | 109.4° |
| NAX | CAL | H8 | 108.8° | 109.5° |
| CAI | CAT | CAV | 105.9° | 107.9° |
| CAT | CAI | NAS | 109.1° | 109.4° |
| CAT | CAI | H23 | 125.4° | 125.3° |
| CAT | CAV | NAQ | 134.7° | 134.0° |
| CAT | CAV | CAW | 105.4° | 106.6° |
| CAI | NAS | CAW | 110.2° | 108.8° |
| CAI | NAS | H22 | 124.9° | 125.5° |
| NAS | CAI | H23 | 125.4° | 125.3° |
| NAQ | CAV | CAW | 119.8° | 119.4° |
| CAV | NAQ | CAH | 120.5° | 121.0° |
| CAV | CAW | NAS | 109.4° | 107.4° |
| CAV | CAW | CAU | 116.9° | 118.5° |
| NAQ | CAH | NAR | 122.3° | 122.1° |
| NAQ | CAH | H20 | 118.8° | 118.9° |
| NAS | CAW | CAU | 133.7° | 134.2° |
| CAW | NAS | H22 | 124.9° | 125.7° |
| CAW | CAU | NAR | 119.7° | 118.4° |
| CAW | CAU | OAA | 119.7° | 120.7° |
| CAH | NAR | CAU | 120.7° | 120.6° |
| NAR | CAH | H20 | 118.8° | 119.0° |
| CAH | NAR | H21 | 119.6° | 119.7° |
| NAR | CAU | OAA | 120.6° | 120.8° |
| CAU | NAR | H21 | 119.6° | 119.7° |
| H3 | CAN | H4 | 109.4° | 109.5° |
| H5 | CAJ | H6 | 109.5° | 109.5° |
| H7 | CAL | H8 | 109.5° | 109.5° |
| H10 | CAM | H11 | 109.5° | 109.5° |
| H12 | CAK | H13 | 109.5° | 109.5° |
| H14 | CAO | H15 | 109.5° | 109.4° |
| H18 | CAP | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | PAZ | OAC | CAO | 119.6° | 120.0° |
| OAF | PAZ | OAC | OAG | 120.4° | 120.0° |
| OAF | PAZ | CAO | OAG | 119.9° | 120.0° |
| OAF | PAZ | CAO | CAK | 79.6° | 56.1° |
| OAF | PAZ | CAO | H14 | 40.7° | 63.9° |
| OAF | PAZ | CAO | H15 | 160.2° | 176.1° |
| OAF | PAZ | OAG | H16 | 0.0° | 60.0° |
| OAF | PAZ | OAC | H17 | 0.0° | 175.0° |
| OAC | PAZ | CAO | OAG | 119.9° | 120.0° |
| OAC | PAZ | CAO | CAK | 160.3° | 63.8° |
| OAC | PAZ | CAO | H14 | 79.5° | 176.1° |
| OAC | PAZ | CAO | H15 | 40.0° | 56.1° |
| OAC | PAZ | OAG | H16 | 120.7° | 60.0° |
| PAZ | CAO | CAK | H14 | 120.3° | 120.0° |
| PAZ | CAO | CAK | H15 | 120.2° | 120.0° |
| PAZ | CAO | CAK | CAM | 163.9° | 175.2° |
| PAZ | CAO | CAK | H12 | 75.8° | 55.2° |
| PAZ | CAO | CAK | H13 | 43.5° | 64.8° |
| PAZ | CAO | H14 | H15 | 119.2° | 120.0° |
| CAO | PAZ | OAG | H16 | 119.6° | 180.0° |
| CAO | PAZ | OAC | H17 | 119.6° | 55.1° |
| OAG | PAZ | CAO | CAK | 40.3° | 176.1° |
| OAG | PAZ | CAO | H14 | 160.6° | 56.1° |
| OAG | PAZ | CAO | H15 | 80.0° | 63.9° |
| OAG | PAZ | OAC | H17 | 120.4° | 64.9° |
| CAO | CAK | CAM | H12 | 120.4° | 120.0° |
| CAO | CAK | CAM | H13 | 120.3° | 120.0° |
| CAO | CAK | CAM | NAX | 141.1° | 178.8° |
| CAO | CAK | CAM | H10 | 98.9° | 61.2° |
| CAO | CAK | CAM | H11 | 21.1° | 58.8° |
| CAO | CAK | H12 | H13 | 118.9° | 120.0° |
| CAK | CAO | H14 | H15 | 119.2° | 120.0° |
| OAE | PAY | OAD | OAB | 119.5° | 120.0° |
| OAE | PAY | OAD | CAN | 120.5° | 120.0° |
| OAE | PAY | OAB | CAN | 120.1° | 120.0° |
| OAE | PAY | CAN | CAJ | 68.2° | 54.9° |
| OAE | PAY | OAD | H1 | 0.0° | 180.0° |
| OAE | PAY | OAB | H2 | 0.0° | 60.1° |
| OAE | PAY | CAN | H3 | 171.3° | 65.0° |
| OAE | PAY | CAN | H4 | 52.2° | 175.0° |
| CAK | CAM | NAX | H10 | 120.0° | 120.0° |
| CAK | CAM | NAX | H11 | 120.0° | 120.0° |
| CAK | CAM | NAX | CAP | 105.0° | 72.0° |
| CAK | CAM | NAX | CAL | 133.9° | 164.0° |
| CAK | CAM | H10 | H11 | 119.9° | 120.0° |
| CAM | CAK | H12 | H13 | 118.9° | 120.0° |
| CAM | CAK | CAO | H14 | 43.6° | 64.8° |
| CAM | CAK | CAO | H15 | 75.9° | 55.2° |
| CAM | NAX | CAL | CAJ | 57.7° | 66.0° |
| CAM | NAX | CAP | CAL | 117.9° | 124.0° |
| CAM | NAX | CAP | CAT | 177.1° | 160.4° |
| CAM | NAX | CAL | H7 | 178.1° | 54.0° |
| CAM | NAX | CAL | H8 | 62.7° | 174.0° |
| NAX | CAM | H10 | H11 | 119.8° | 119.9° |
| NAX | CAM | CAK | H12 | 20.7° | 58.7° |
| NAX | CAM | CAK | H13 | 98.5° | 61.2° |
| CAM | NAX | CAP | H18 | 62.9° | 40.4° |
| CAM | NAX | CAP | H19 | 57.0° | 79.6° |
| OAD | PAY | OAB | CAN | 119.9° | 120.0° |
| OAD | PAY | CAN | CAJ | 52.4° | 65.1° |
| OAD | PAY | OAB | H2 | 120.0° | 59.9° |
| OAD | PAY | CAN | H3 | 68.0° | 175.0° |
| OAD | PAY | CAN | H4 | 172.9° | 55.0° |
| OAB | PAY | CAN | CAJ | 171.9° | 175.0° |
| OAB | PAY | OAD | H1 | 119.5° | 60.1° |
| OAB | PAY | CAN | H3 | 51.4° | 55.0° |
| OAB | PAY | CAN | H4 | 67.6° | 65.0° |
| PAY | CAN | CAJ | H3 | 120.5° | 119.9° |
| PAY | CAN | CAJ | H4 | 120.4° | 120.0° |
| PAY | CAN | CAJ | CAL | 166.8° | 180.0° |
| CAN | PAY | OAD | H1 | 120.5° | 59.9° |
| CAN | PAY | OAB | H2 | 120.1° | 179.9° |
| PAY | CAN | H3 | H4 | 118.6° | 120.0° |
| PAY | CAN | CAJ | H5 | 72.9° | 60.1° |
| PAY | CAN | CAJ | H6 | 46.5° | 60.0° |
| CAN | CAJ | CAL | H5 | 120.4° | 120.0° |
| CAN | CAJ | CAL | H6 | 120.3° | 120.0° |
| CAN | CAJ | CAL | NAX | 179.7° | 180.0° |
| CAJ | CAN | H3 | H4 | 118.7° | 120.1° |
| CAN | CAJ | H5 | H6 | 119.0° | 120.0° |
| CAN | CAJ | CAL | H7 | 59.3° | 60.1° |
| CAN | CAJ | CAL | H8 | 60.0° | 60.0° |
| CAJ | CAL | NAX | CAP | 60.1° | 170.0° |
| CAJ | CAL | NAX | H7 | 120.4° | 120.0° |
| CAJ | CAL | NAX | H8 | 120.4° | 120.0° |
| CAL | CAJ | CAN | H3 | 46.3° | 60.1° |
| CAL | CAJ | CAN | H4 | 72.8° | 60.0° |
| CAL | CAJ | H5 | H6 | 118.9° | 120.0° |
| CAJ | CAL | H7 | H8 | 118.8° | 120.0° |
| NAX | CAP | CAT | H18 | 120.1° | 120.0° |
| NAX | CAP | CAT | H19 | 120.0° | 119.9° |
| NAX | CAP | CAT | CAI | 106.7° | 105.1° |
| NAX | CAP | CAT | CAV | 73.4° | 75.3° |
| CAP | NAX | CAL | H7 | 60.3° | 70.0° |
| CAP | NAX | CAL | H8 | 179.5° | 50.0° |
| CAP | NAX | CAM | H10 | 15.0° | 168.0° |
| CAP | NAX | CAM | H11 | 135.0° | 48.0° |
| NAX | CAP | H18 | H19 | 119.8° | 120.0° |
| CAT | CAP | NAX | CAL | 59.2° | 75.5° |
| CAP | CAT | CAI | CAV | 180.0° | 179.7° |
| CAP | CAT | CAI | NAS | 179.9° | 179.9° |
| CAP | CAT | CAV | NAQ | 0.1° | 0.1° |
| CAP | CAT | CAV | CAW | 179.9° | 180.0° |
| CAT | CAP | H18 | H19 | 119.8° | 120.0° |
| CAP | CAT | CAI | H23 | 0.0° | 0.0° |
| NAX | CAL | CAJ | H5 | 60.0° | 60.0° |
| NAX | CAL | CAJ | H6 | 59.3° | 60.0° |
| NAX | CAL | H7 | H8 | 118.8° | 120.0° |
| CAL | NAX | CAM | H10 | 106.1° | 44.0° |
| CAL | NAX | CAM | H11 | 13.8° | 76.0° |
| CAL | NAX | CAP | H18 | 179.2° | 164.5° |
| CAL | NAX | CAP | H19 | 60.9° | 44.4° |
| CAT | CAI | NAS | H23 | 180.0° | 179.9° |
| CAI | CAT | CAV | NAQ | 179.9° | 179.8° |
| CAI | CAT | CAV | CAW | 0.1° | 0.3° |
| CAT | CAI | NAS | CAW | 0.0° | 0.4° |
| CAI | CAT | CAP | H18 | 133.3° | 134.9° |
| CAI | CAT | CAP | H19 | 13.4° | 14.8° |
| CAT | CAI | NAS | H22 | 180.0° | 179.8° |
| CAV | CAT | CAI | NAS | 0.1° | 0.4° |
| CAT | CAV | NAQ | CAW | 179.8° | 180.0° |
| CAT | CAV | NAQ | CAH | 179.9° | 179.9° |
| CAT | CAV | CAW | NAS | 0.1° | 0.0° |
| CAT | CAV | CAW | CAU | 179.9° | 180.0° |
| CAV | CAT | CAP | H18 | 46.7° | 44.8° |
| CAV | CAT | CAP | H19 | 166.6° | 164.8° |
| CAV | CAT | CAI | H23 | 179.9° | 179.7° |
| CAI | NAS | CAW | CAV | 0.1° | 0.2° |
| CAI | NAS | CAW | H22 | 180.0° | 179.8° |
| CAI | NAS | CAW | CAU | 180.0° | 179.7° |
| NAQ | CAV | CAW | NAS | 180.0° | 180.0° |
| NAQ | CAV | CAW | CAU | 0.1° | 0.0° |
| CAV | NAQ | CAH | NAR | 0.1° | 0.1° |
| CAV | NAQ | CAH | H20 | 179.9° | 180.0° |
| CAW | CAV | NAQ | CAH | 0.1° | 0.1° |
| CAV | CAW | NAS | CAU | 179.9° | 180.0° |
| CAV | CAW | CAU | NAR | 0.0° | 0.0° |
| CAV | CAW | CAU | OAA | 179.9° | 180.0° |
| CAV | CAW | NAS | H22 | 179.9° | 180.0° |
| NAQ | CAH | NAR | H20 | 180.0° | 179.9° |
| NAQ | CAH | NAR | CAU | 0.0° | 0.1° |
| NAQ | CAH | NAR | H21 | 180.0° | 179.9° |
| NAS | CAW | CAU | NAR | 179.9° | 179.9° |
| NAS | CAW | CAU | OAA | 0.1° | 0.1° |
| CAW | NAS | CAI | H23 | 180.0° | 179.7° |
| CAW | CAU | NAR | CAH | 0.0° | 0.0° |
| CAW | CAU | NAR | OAA | 179.9° | 180.0° |
| CAW | CAU | NAR | H21 | 180.0° | 179.9° |
| CAU | CAW | NAS | H22 | 0.0° | 0.0° |
| CAH | NAR | CAU | H21 | 180.0° | 179.9° |
| CAH | NAR | CAU | OAA | 179.9° | 180.0° |
| CAU | NAR | CAH | H20 | 180.0° | 180.0° |
| OAA | CAU | NAR | H21 | 0.1° | 0.1° |
| H3 | CAN | CAJ | H5 | 166.7° | 180.0° |
| H3 | CAN | CAJ | H6 | 74.0° | 60.0° |
| H4 | CAN | CAJ | H5 | 47.6° | 60.0° |
| H4 | CAN | CAJ | H6 | 166.9° | 180.0° |
| H5 | CAJ | CAL | H7 | 179.6° | 180.0° |
| H5 | CAJ | CAL | H8 | 60.4° | 60.0° |
| H6 | CAJ | CAL | H7 | 61.1° | 60.0° |
| H6 | CAJ | CAL | H8 | 179.7° | 180.0° |
| H10 | CAM | CAK | H12 | 140.8° | 178.8° |
| H10 | CAM | CAK | H13 | 21.5° | 58.8° |
| H11 | CAM | CAK | H12 | 99.3° | 61.2° |
| H11 | CAM | CAK | H13 | 141.4° | 178.8° |
| H12 | CAK | CAO | H14 | 164.0° | 175.2° |
| H12 | CAK | CAO | H15 | 44.5° | 64.8° |
| H13 | CAK | CAO | H14 | 76.8° | 55.2° |
| H13 | CAK | CAO | H15 | 163.7° | 175.2° |
| H20 | CAH | NAR | H21 | 0.0° | 0.0° |
| H22 | NAS | CAI | H23 | 0.0° | 0.1° |
