4U6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAV | doub | 1.21Å | 1.23Å | |
| CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAW | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CBB | sing | 1.53Å | 1.53Å | |
| CAO | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.48Å | 1.39Å | |
| CAY | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CBB | sing | 1.51Å | 1.53Å | |
| CAV | N | sing | 1.35Å | 1.34Å | |
| CAW | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAT | sing | 1.48Å | 1.39Å | |
| CAZ | CA | sing | 1.51Å | 1.40Å | |
| CAZ | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | NAD | sing | 1.38Å | 1.33Å | |
| CAT | NAQ | doub | 1.30Å | 1.34Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CBB | CAA | sing | 1.53Å | 1.53Å | |
| CBB | CAB | sing | 1.53Å | 1.53Å | |
| CAL | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| NAQ | OAG | sing | 1.42Å | 1.45Å | |
| NAR | C | sing | 1.35Å | 1.34Å | |
| NAR | OAH | sing | 1.42Å | 1.42Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| NAR | H12 | sing | 0.97Å | 1.00Å | |
| OAH | H13 | sing | 0.97Å | 0.95Å | |
| CAO | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAL | H17 | sing | 1.08Å | 1.08Å | |
| CAP | H18 | sing | 1.08Å | 1.08Å | |
| CAK | H19 | sing | 1.08Å | 1.08Å | |
| CAI | H20 | sing | 1.08Å | 1.08Å | |
| CAJ | H21 | sing | 1.08Å | 1.08Å | |
| NAD | H22 | sing | 0.97Å | 1.00Å | |
| OAG | H24 | sing | 0.97Å | 0.95Å | |
| NAD | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAV | CBB | 121.0° | 120.0° |
| OAF | CAV | N | 123.8° | 120.0° |
| CAK | CAI | CAJ | 119.9° | 120.3° |
| CAI | CAK | CAY | 120.5° | 120.2° |
| CAI | CAK | H19 | 119.7° | 119.9° |
| CAK | CAI | H20 | 120.0° | 119.9° |
| CAI | CAJ | CAW | 119.7° | 120.1° |
| CAJ | CAI | H20 | 120.1° | 119.9° |
| CAI | CAJ | H21 | 120.1° | 119.9° |
| CAK | CAY | CAX | 119.4° | 120.0° |
| CAK | CAY | CAP | 119.7° | 119.9° |
| CAY | CAK | H19 | 119.8° | 120.0° |
| CAJ | CAW | CAP | 120.5° | 119.8° |
| CAJ | CAW | CAT | 119.2° | 120.1° |
| CAW | CAJ | H21 | 120.2° | 119.9° |
| CAO | CAM | CAX | 120.2° | 119.8° |
| CAM | CAO | CAZ | 120.0° | 120.2° |
| CAM | CAO | H14 | 120.0° | 120.0° |
| CAO | CAM | H15 | 119.9° | 120.1° |
| CAM | CAX | CAY | 119.3° | 120.1° |
| CAM | CAX | CAL | 119.9° | 119.8° |
| CAX | CAM | H15 | 119.9° | 120.0° |
| CAC | CBB | CAV | 109.1° | 109.5° |
| CAC | CBB | CAA | 109.6° | 109.5° |
| CAC | CBB | CAB | 108.8° | 109.4° |
| CBB | CAC | H7 | 109.5° | 109.5° |
| CBB | CAC | H8 | 109.4° | 109.5° |
| CBB | CAC | H9 | 109.5° | 109.5° |
| CAO | CAZ | CA | 118.7° | 119.9° |
| CAO | CAZ | CAN | 119.8° | 120.2° |
| CAZ | CAO | H14 | 120.0° | 119.9° |
| CAX | CAY | CAP | 120.9° | 120.1° |
| CAY | CAX | CAL | 120.8° | 120.1° |
| CAY | CAP | CAW | 119.7° | 119.7° |
| CAY | CAP | H18 | 120.2° | 120.2° |
| CAX | CAL | CAN | 119.9° | 119.9° |
| CAX | CAL | H17 | 120.1° | 120.1° |
| CBB | CAV | N | 115.3° | 120.0° |
| CAV | CBB | CAA | 109.8° | 109.5° |
| CAV | CBB | CAB | 109.6° | 109.5° |
| CAV | N | CA | 121.9° | 120.0° |
| CAV | N | H10 | 119.0° | 120.0° |
| CAP | CAW | CAT | 120.3° | 120.1° |
| CAW | CAP | H18 | 120.2° | 120.1° |
| CAW | CAT | NAD | 118.1° | 120.0° |
| CAW | CAT | NAQ | 118.4° | 120.0° |
| CA | CAZ | CAN | 121.5° | 119.9° |
| CAZ | CA | N | 112.5° | 109.5° |
| CAZ | CA | C | 111.0° | 109.5° |
| CAZ | CA | H11 | 109.1° | 109.5° |
| CAZ | CAN | CAL | 120.2° | 120.1° |
| CAZ | CAN | H16 | 119.9° | 119.9° |
| NAD | CAT | NAQ | 123.5° | 120.0° |
| CAT | NAD | H22 | 120.0° | 120.0° |
| CAT | NAD | H25 | 120.0° | 120.0° |
| CAT | NAQ | OAG | 116.9° | 120.0° |
| N | CA | C | 108.6° | 109.4° |
| CA | N | H10 | 119.1° | 120.0° |
| N | CA | H11 | 108.1° | 109.5° |
| CA | C | NAR | 114.8° | 120.0° |
| CA | C | O | 121.3° | 120.1° |
| C | CA | H11 | 107.3° | 109.5° |
| CAA | CBB | CAB | 109.9° | 109.5° |
| CBB | CAA | H1 | 109.5° | 109.4° |
| CBB | CAA | H2 | 109.5° | 109.4° |
| CBB | CAA | H3 | 109.5° | 109.5° |
| CBB | CAB | H4 | 109.5° | 109.5° |
| CBB | CAB | H5 | 109.5° | 109.5° |
| CBB | CAB | H6 | 109.5° | 109.5° |
| CAL | CAN | H16 | 119.9° | 120.0° |
| CAN | CAL | H17 | 120.1° | 120.0° |
| NAQ | OAG | H24 | 109.5° | 114.0° |
| C | NAR | OAH | 117.0° | 120.0° |
| NAR | C | O | 123.9° | 119.9° |
| C | NAR | H12 | 121.5° | 120.0° |
| OAH | NAR | H12 | 121.5° | 120.0° |
| NAR | OAH | H13 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H9 | 109.5° | 109.6° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H22 | NAD | H25 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAV | CBB | CAC | 19.8° | 120.0° |
| OAF | CAV | CBB | N | 179.9° | 180.0° |
| OAF | CAV | N | CA | 2.1° | 0.0° |
| OAF | CAV | CBB | CAA | 100.3° | 0.0° |
| OAF | CAV | CBB | CAB | 138.9° | 120.1° |
| OAF | CAV | N | H10 | 177.9° | 180.0° |
| CAK | CAI | CAJ | H20 | 180.0° | 179.9° |
| CAI | CAK | CAY | H19 | 180.0° | 180.0° |
| CAK | CAI | CAJ | CAW | 0.1° | 0.3° |
| CAI | CAK | CAY | CAX | 179.6° | 179.9° |
| CAI | CAK | CAY | CAP | 0.3° | 0.3° |
| CAK | CAI | CAJ | H21 | 179.9° | 179.9° |
| CAJ | CAI | CAK | CAY | 0.2° | 0.0° |
| CAI | CAJ | CAW | H21 | 180.0° | 179.6° |
| CAI | CAJ | CAW | CAP | 0.1° | 0.3° |
| CAI | CAJ | CAW | CAT | 179.9° | 180.0° |
| CAJ | CAI | CAK | H19 | 179.8° | 180.0° |
| CAK | CAY | CAX | CAM | 1.9° | 0.3° |
| CAK | CAY | CAX | CAP | 179.3° | 179.7° |
| CAK | CAY | CAX | CAL | 177.5° | 179.9° |
| CAK | CAY | CAP | CAW | 0.3° | 0.3° |
| CAK | CAY | CAP | H18 | 179.7° | 179.7° |
| CAY | CAK | CAI | H20 | 179.8° | 179.9° |
| CAJ | CAW | CAP | CAY | 0.2° | 0.0° |
| CAJ | CAW | CAP | CAT | 180.0° | 179.8° |
| CAJ | CAW | CAT | NAD | 20.1° | 0.0° |
| CAJ | CAW | CAT | NAQ | 159.5° | 180.0° |
| CAJ | CAW | CAP | H18 | 179.8° | 180.0° |
| CAW | CAJ | CAI | H20 | 179.9° | 179.8° |
| CAO | CAM | CAX | H15 | 180.0° | 180.0° |
| CAM | CAO | CAZ | H14 | 180.0° | 180.0° |
| CAO | CAM | CAX | CAY | 179.6° | 180.0° |
| CAO | CAM | CAX | CAL | 0.2° | 0.3° |
| CAM | CAO | CAZ | CA | 179.9° | 180.0° |
| CAM | CAO | CAZ | CAN | 0.2° | 0.3° |
| CAX | CAM | CAO | CAZ | 0.2° | 0.0° |
| CAM | CAX | CAY | CAL | 179.4° | 179.7° |
| CAM | CAX | CAY | CAP | 178.8° | 180.0° |
| CAM | CAX | CAL | CAN | 0.2° | 0.3° |
| CAX | CAM | CAO | H14 | 179.9° | 180.0° |
| CAM | CAX | CAL | H17 | 179.8° | 179.7° |
| CAC | CBB | CAV | CAA | 120.1° | 120.0° |
| CAC | CBB | CAV | CAB | 119.1° | 120.0° |
| CAC | CBB | CAV | N | 160.3° | 60.0° |
| CAC | CBB | CAA | CAB | 119.6° | 120.0° |
| CAC | CBB | CAA | H1 | 180.0° | 180.0° |
| CAC | CBB | CAA | H2 | 60.0° | 60.0° |
| CAC | CBB | CAA | H3 | 60.0° | 60.0° |
| CAC | CBB | CAB | H4 | 180.0° | 60.0° |
| CAC | CBB | CAB | H5 | 60.0° | 60.0° |
| CAC | CBB | CAB | H6 | 60.0° | 180.0° |
| CBB | CAC | H7 | H8 | 120.0° | 119.9° |
| CBB | CAC | H7 | H9 | 120.0° | 120.0° |
| CBB | CAC | H8 | H9 | 120.0° | 120.0° |
| CAO | CAZ | CA | CAN | 179.7° | 179.7° |
| CAO | CAZ | CA | N | 162.5° | 39.7° |
| CAO | CAZ | CA | C | 75.6° | 80.3° |
| CAO | CAZ | CAN | CAL | 0.1° | 0.3° |
| CAO | CAZ | CA | H11 | 42.6° | 159.7° |
| CAZ | CAO | CAM | H15 | 179.8° | 180.0° |
| CAO | CAZ | CAN | H16 | 179.9° | 179.7° |
| CAX | CAY | CAP | CAW | 179.6° | 180.0° |
| CAY | CAX | CAL | CAN | 179.5° | 180.0° |
| CAY | CAX | CAM | H15 | 0.4° | 0.0° |
| CAY | CAX | CAL | H17 | 0.4° | 0.0° |
| CAX | CAY | CAP | H18 | 0.4° | 0.1° |
| CAX | CAY | CAK | H19 | 0.4° | 0.0° |
| CAP | CAY | CAX | CAL | 1.8° | 0.3° |
| CAY | CAP | CAW | H18 | 180.0° | 179.9° |
| CAY | CAP | CAW | CAT | 179.8° | 179.8° |
| CAP | CAY | CAK | H19 | 179.7° | 179.7° |
| CAX | CAL | CAN | CAZ | 0.1° | 0.0° |
| CAX | CAL | CAN | H17 | 180.0° | 180.0° |
| CAL | CAX | CAM | H15 | 179.8° | 179.7° |
| CAX | CAL | CAN | H16 | 179.9° | 180.0° |
| CBB | CAV | N | CA | 178.0° | 180.0° |
| CAV | CBB | CAA | CAB | 120.6° | 120.0° |
| CAV | CBB | CAA | H1 | 60.2° | 60.0° |
| CAV | CBB | CAA | H2 | 179.8° | 60.0° |
| CAV | CBB | CAA | H3 | 59.8° | 180.0° |
| CAV | CBB | CAB | H4 | 60.8° | 180.0° |
| CAV | CBB | CAB | H5 | 59.2° | 60.0° |
| CAV | CBB | CAB | H6 | 179.2° | 60.1° |
| CAV | CBB | CAC | H7 | 180.0° | 59.9° |
| CAV | CBB | CAC | H8 | 60.0° | 60.0° |
| CAV | CBB | CAC | H9 | 60.0° | 179.9° |
| CBB | CAV | N | H10 | 2.0° | 0.0° |
| CAV | N | CA | CAZ | 91.9° | 155.0° |
| CAV | N | CA | H10 | 180.0° | 180.0° |
| CAV | N | CA | C | 144.8° | 85.0° |
| N | CAV | CBB | CAA | 79.6° | 180.0° |
| N | CAV | CBB | CAB | 41.2° | 60.0° |
| CAV | N | CA | H11 | 28.7° | 35.0° |
| CAP | CAW | CAT | NAD | 159.9° | 179.8° |
| CAP | CAW | CAT | NAQ | 20.5° | 0.2° |
| CAP | CAW | CAJ | H21 | 179.9° | 179.9° |
| CAW | CAT | NAD | NAQ | 179.6° | 180.0° |
| CAW | CAT | NAQ | OAG | 179.8° | 180.0° |
| CAT | CAW | CAP | H18 | 0.1° | 0.2° |
| CAT | CAW | CAJ | H21 | 0.0° | 0.3° |
| CAW | CAT | NAD | H22 | 179.6° | 0.0° |
| CAW | CAT | NAD | H25 | 0.4° | 180.0° |
| CAZ | CA | N | C | 123.3° | 120.0° |
| CAZ | CA | N | H11 | 120.6° | 120.0° |
| CAZ | CA | C | H11 | 119.2° | 120.0° |
| CA | CAZ | CAN | CAL | 179.8° | 180.0° |
| CAZ | CA | C | NAR | 119.0° | 60.0° |
| CAZ | CA | C | O | 62.5° | 120.0° |
| CAZ | CA | N | H10 | 88.1° | 25.0° |
| CA | CAZ | CAO | H14 | 0.2° | 0.0° |
| CA | CAZ | CAN | H16 | 0.2° | 0.0° |
| CAN | CAZ | CA | N | 17.2° | 140.0° |
| CAN | CAZ | CA | C | 104.7° | 100.0° |
| CAZ | CAN | CAL | H16 | 180.0° | 180.0° |
| CAN | CAZ | CA | H11 | 137.1° | 20.0° |
| CAN | CAZ | CAO | H14 | 179.9° | 179.7° |
| CAZ | CAN | CAL | H17 | 179.8° | 180.0° |
| NAD | CAT | NAQ | OAG | 0.2° | 0.0° |
| CAT | NAD | H22 | H25 | 180.0° | 180.0° |
| NAQ | CAT | NAD | H22 | 0.0° | 180.0° |
| CAT | NAQ | OAG | H24 | 180.0° | 180.0° |
| NAQ | CAT | NAD | H25 | 180.0° | 0.0° |
| N | CA | C | H11 | 116.7° | 120.0° |
| N | CA | C | NAR | 116.8° | 180.0° |
| N | CA | C | O | 61.6° | 0.0° |
| CA | C | NAR | O | 178.4° | 179.9° |
| CA | C | NAR | OAH | 179.1° | 180.0° |
| C | CA | N | H10 | 35.2° | 95.0° |
| CA | C | NAR | H12 | 0.9° | 0.1° |
| CBB | CAA | H1 | H2 | 120.0° | 120.0° |
| CBB | CAA | H1 | H3 | 120.0° | 120.0° |
| CBB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CBB | CAB | H4 | 59.9° | 60.0° |
| CAA | CBB | CAB | H5 | 179.9° | 180.0° |
| CAA | CBB | CAB | H6 | 60.1° | 60.0° |
| CAA | CBB | CAC | H7 | 59.8° | 60.1° |
| CAA | CBB | CAC | H8 | 179.8° | 180.0° |
| CAA | CBB | CAC | H9 | 60.2° | 60.0° |
| CAB | CBB | CAA | H1 | 60.4° | 60.0° |
| CAB | CBB | CAA | H2 | 59.6° | 180.0° |
| CAB | CBB | CAA | H3 | 179.6° | 60.0° |
| CBB | CAB | H4 | H5 | 120.0° | 120.1° |
| CBB | CAB | H4 | H6 | 120.0° | 120.0° |
| CBB | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CBB | CAC | H7 | 60.4° | 179.9° |
| CAB | CBB | CAC | H8 | 59.6° | 60.0° |
| CAB | CBB | CAC | H9 | 179.5° | 60.0° |
| C | NAR | OAH | H12 | 180.0° | 180.0° |
| NAR | C | CA | H11 | 0.2° | 60.1° |
| C | NAR | OAH | H13 | 0.3° | 180.0° |
| OAH | NAR | C | O | 0.7° | 0.0° |
| O | C | CA | H11 | 178.3° | 120.0° |
| O | C | NAR | H12 | 179.3° | 180.0° |
| H1 | CAA | H2 | H3 | 119.9° | 120.1° |
| H4 | CAB | H5 | H6 | 120.0° | 119.9° |
| H7 | CAC | H8 | H9 | 120.0° | 120.1° |
| H10 | N | CA | H11 | 151.3° | 145.0° |
| H12 | NAR | OAH | H13 | 179.7° | 0.0° |
| H14 | CAO | CAM | H15 | 0.2° | 0.0° |
| H16 | CAN | CAL | H17 | 0.1° | 0.0° |
| H19 | CAK | CAI | H20 | 0.2° | 0.1° |
| H20 | CAI | CAJ | H21 | 0.1° | 0.2° |
