4YP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAQ | sing | 1.51Å | 1.39Å | |
| OAG | CAU | doub | 1.21Å | 1.22Å | |
| CAD | CAP | sing | 1.51Å | 1.53Å | |
| CAQ | CAU | sing | 1.48Å | 1.54Å | |
| CAQ | CAS | doub | 1.34Å | 1.40Å | |
| CAL | CAS | sing | 1.51Å | 1.44Å | |
| CAL | CAJ | sing | 1.51Å | 1.56Å | |
| CAU | CAR | sing | 1.48Å | 1.52Å | |
| CAS | CAV | sing | 1.48Å | 1.55Å | |
| CAP | CAJ | doub | 1.31Å | 1.54Å | |
| CAP | CAM | sing | 1.51Å | 1.56Å | |
| CAC | CAO | sing | 1.51Å | 1.53Å | |
| CAK | CAM | sing | 1.53Å | 1.54Å | |
| CAK | CAI | sing | 1.51Å | 1.54Å | |
| CAR | NAF | sing | 1.39Å | 1.33Å | |
| CAR | CAT | doub | 1.36Å | 1.37Å | |
| CAV | CAT | sing | 1.47Å | 1.53Å | |
| CAV | OAH | doub | 1.22Å | 1.22Å | |
| CAT | OAN | sing | 1.36Å | 1.38Å | |
| CAO | CAI | doub | 1.31Å | 1.54Å | |
| CAO | CAB | sing | 1.51Å | 1.54Å | |
| OAN | CAA | sing | 1.43Å | 1.44Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAD | H12 | sing | 1.09Å | 1.10Å | |
| CAD | H13 | sing | 1.09Å | 1.10Å | |
| CAD | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAL | H17 | sing | 1.09Å | 1.10Å | |
| CAE | H18 | sing | 1.09Å | 1.10Å | |
| CAE | H19 | sing | 1.09Å | 1.10Å | |
| CAE | H20 | sing | 1.09Å | 1.10Å | |
| NAF | H21 | sing | 0.97Å | 1.00Å | |
| NAF | H22 | sing | 0.97Å | 1.00Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å | |
| CAA | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAQ | CAU | 119.0° | 119.9° |
| CAE | CAQ | CAS | 119.6° | 120.0° |
| CAQ | CAE | H18 | 109.5° | 109.5° |
| CAQ | CAE | H19 | 109.5° | 109.5° |
| CAQ | CAE | H20 | 109.4° | 109.4° |
| OAG | CAU | CAQ | 120.7° | 120.0° |
| OAG | CAU | CAR | 119.6° | 120.1° |
| CAD | CAP | CAJ | 121.3° | 120.0° |
| CAD | CAP | CAM | 119.5° | 120.0° |
| CAP | CAD | H12 | 109.5° | 109.5° |
| CAP | CAD | H13 | 109.5° | 109.5° |
| CAP | CAD | H14 | 109.5° | 109.4° |
| CAU | CAQ | CAS | 121.3° | 120.1° |
| CAQ | CAU | CAR | 119.7° | 119.9° |
| CAQ | CAS | CAL | 120.9° | 119.9° |
| CAQ | CAS | CAV | 117.4° | 120.2° |
| CAS | CAL | CAJ | 112.2° | 109.5° |
| CAL | CAS | CAV | 121.7° | 119.9° |
| CAS | CAL | H16 | 108.8° | 109.4° |
| CAS | CAL | H17 | 108.8° | 109.4° |
| CAL | CAJ | CAP | 124.4° | 120.0° |
| CAL | CAJ | H15 | 117.8° | 120.0° |
| CAJ | CAL | H16 | 108.8° | 109.5° |
| CAJ | CAL | H17 | 108.8° | 109.5° |
| CAU | CAR | NAF | 120.8° | 120.1° |
| CAU | CAR | CAT | 120.1° | 119.8° |
| CAS | CAV | CAT | 120.9° | 120.0° |
| CAS | CAV | OAH | 120.9° | 120.0° |
| CAJ | CAP | CAM | 119.0° | 120.0° |
| CAP | CAJ | H15 | 117.8° | 120.0° |
| CAP | CAM | CAK | 113.1° | 109.5° |
| CAP | CAM | H10 | 108.6° | 109.5° |
| CAP | CAM | H11 | 108.5° | 109.5° |
| CAC | CAO | CAI | 120.8° | 120.0° |
| CAC | CAO | CAB | 119.1° | 120.0° |
| CAO | CAC | H4 | 109.5° | 109.5° |
| CAO | CAC | H5 | 109.5° | 109.5° |
| CAO | CAC | H6 | 109.5° | 109.5° |
| CAM | CAK | CAI | 111.3° | 109.5° |
| CAM | CAK | H8 | 109.0° | 109.5° |
| CAM | CAK | H9 | 109.0° | 109.5° |
| CAK | CAM | H10 | 108.6° | 109.5° |
| CAK | CAM | H11 | 108.6° | 109.4° |
| CAK | CAI | CAO | 120.7° | 120.0° |
| CAK | CAI | H7 | 119.7° | 120.1° |
| CAI | CAK | H8 | 109.0° | 109.5° |
| CAI | CAK | H9 | 109.0° | 109.5° |
| NAF | CAR | CAT | 119.1° | 120.1° |
| CAR | NAF | H21 | 109.5° | 120.0° |
| CAR | NAF | H22 | 109.5° | 120.0° |
| CAR | CAT | CAV | 120.5° | 119.9° |
| CAR | CAT | OAN | 119.2° | 120.1° |
| CAT | CAV | OAH | 118.2° | 120.0° |
| CAV | CAT | OAN | 120.2° | 120.0° |
| CAT | OAN | CAA | 116.5° | 117.0° |
| CAI | CAO | CAB | 120.1° | 120.0° |
| CAO | CAI | H7 | 119.7° | 119.9° |
| CAO | CAB | H1 | 109.5° | 109.5° |
| CAO | CAB | H2 | 109.4° | 109.4° |
| CAO | CAB | H3 | 109.5° | 109.4° |
| OAN | CAA | H23 | 109.5° | 109.5° |
| OAN | CAA | H24 | 109.5° | 109.4° |
| OAN | CAA | H25 | 109.5° | 109.5° |
| H1 | CAB | H2 | 109.5° | 109.5° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.4° |
| H4 | CAC | H5 | 109.5° | 109.4° |
| H4 | CAC | H6 | 109.5° | 109.5° |
| H5 | CAC | H6 | 109.5° | 109.5° |
| H8 | CAK | H9 | 109.4° | 109.4° |
| H10 | CAM | H11 | 109.5° | 109.5° |
| H12 | CAD | H13 | 109.5° | 109.5° |
| H12 | CAD | H14 | 109.5° | 109.5° |
| H13 | CAD | H14 | 109.5° | 109.5° |
| H16 | CAL | H17 | 109.4° | 109.4° |
| H18 | CAE | H19 | 109.5° | 109.5° |
| H18 | CAE | H20 | 109.5° | 109.4° |
| H19 | CAE | H20 | 109.5° | 109.5° |
| H21 | NAF | H22 | 109.5° | 120.1° |
| H23 | CAA | H24 | 109.5° | 109.4° |
| H23 | CAA | H25 | 109.5° | 109.5° |
| H24 | CAA | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAQ | CAU | OAG | 0.9° | 0.0° |
| CAE | CAQ | CAU | CAS | 178.6° | 180.0° |
| CAE | CAQ | CAS | CAL | 0.6° | 0.0° |
| CAE | CAQ | CAU | CAR | 179.1° | 180.0° |
| CAE | CAQ | CAS | CAV | 179.7° | 179.7° |
| CAQ | CAE | H18 | H19 | 120.0° | 120.1° |
| CAQ | CAE | H18 | H20 | 120.0° | 119.9° |
| CAQ | CAE | H19 | H20 | 120.0° | 120.0° |
| OAG | CAU | CAQ | CAR | 179.9° | 180.0° |
| OAG | CAU | CAQ | CAS | 179.4° | 180.0° |
| OAG | CAU | CAR | NAF | 0.4° | 0.0° |
| OAG | CAU | CAR | CAT | 179.5° | 179.7° |
| CAD | CAP | CAJ | CAL | 3.0° | 5.0° |
| CAD | CAP | CAJ | CAM | 175.7° | 179.9° |
| CAD | CAP | CAM | CAK | 89.8° | 85.0° |
| CAD | CAP | CAM | H10 | 30.7° | 155.0° |
| CAD | CAP | CAM | H11 | 149.6° | 34.9° |
| CAP | CAD | H12 | H13 | 120.0° | 120.0° |
| CAP | CAD | H12 | H14 | 120.0° | 119.9° |
| CAP | CAD | H13 | H14 | 120.0° | 120.0° |
| CAD | CAP | CAJ | H15 | 177.0° | 175.0° |
| CAU | CAQ | CAS | CAL | 179.2° | 180.0° |
| CAU | CAQ | CAS | CAV | 1.1° | 0.3° |
| CAQ | CAU | CAR | NAF | 179.7° | 180.0° |
| CAQ | CAU | CAR | CAT | 0.6° | 0.3° |
| CAU | CAQ | CAE | H18 | 180.0° | 0.0° |
| CAU | CAQ | CAE | H19 | 60.0° | 120.0° |
| CAU | CAQ | CAE | H20 | 60.0° | 120.0° |
| CAQ | CAS | CAL | CAV | 179.7° | 179.7° |
| CAQ | CAS | CAL | CAJ | 141.9° | 94.7° |
| CAS | CAQ | CAU | CAR | 0.5° | 0.0° |
| CAQ | CAS | CAV | CAT | 0.8° | 0.3° |
| CAQ | CAS | CAV | OAH | 179.0° | 179.7° |
| CAQ | CAS | CAL | H16 | 97.7° | 25.3° |
| CAQ | CAS | CAL | H17 | 21.4° | 145.3° |
| CAS | CAQ | CAE | H18 | 1.4° | 180.0° |
| CAS | CAQ | CAE | H19 | 121.4° | 60.0° |
| CAS | CAQ | CAE | H20 | 118.6° | 60.0° |
| CAS | CAL | CAJ | H16 | 120.4° | 120.0° |
| CAS | CAL | CAJ | H17 | 120.4° | 120.0° |
| CAS | CAL | CAJ | CAP | 113.0° | 125.5° |
| CAL | CAS | CAV | CAT | 179.5° | 180.0° |
| CAL | CAS | CAV | OAH | 0.7° | 0.0° |
| CAS | CAL | CAJ | H15 | 67.1° | 54.6° |
| CAS | CAL | H16 | H17 | 118.7° | 119.9° |
| CAJ | CAL | CAS | CAV | 38.5° | 85.0° |
| CAL | CAJ | CAP | H15 | 180.0° | 180.0° |
| CAL | CAJ | CAP | CAM | 178.7° | 174.9° |
| CAJ | CAL | H16 | H17 | 118.7° | 120.0° |
| CAU | CAR | NAF | CAT | 179.1° | 179.7° |
| CAU | CAR | CAT | CAV | 0.9° | 0.3° |
| CAU | CAR | CAT | OAN | 179.7° | 179.8° |
| CAU | CAR | NAF | H21 | 180.0° | 5.0° |
| CAU | CAR | NAF | H22 | 60.0° | 174.9° |
| CAS | CAV | CAT | CAR | 0.2° | 0.0° |
| CAS | CAV | CAT | OAH | 179.8° | 180.0° |
| CAS | CAV | CAT | OAN | 179.6° | 180.0° |
| CAV | CAS | CAL | H16 | 82.0° | 155.0° |
| CAV | CAS | CAL | H17 | 158.9° | 35.1° |
| CAJ | CAP | CAM | CAK | 94.4° | 95.0° |
| CAJ | CAP | CAM | H10 | 145.0° | 25.0° |
| CAJ | CAP | CAM | H11 | 26.2° | 145.0° |
| CAJ | CAP | CAD | H12 | 180.0° | 64.8° |
| CAJ | CAP | CAD | H13 | 60.0° | 175.2° |
| CAJ | CAP | CAD | H14 | 60.0° | 55.2° |
| CAP | CAJ | CAL | H16 | 126.6° | 114.5° |
| CAP | CAJ | CAL | H17 | 7.5° | 5.5° |
| CAP | CAM | CAK | H10 | 120.5° | 120.0° |
| CAP | CAM | CAK | H11 | 120.5° | 120.0° |
| CAP | CAM | CAK | CAI | 108.8° | 180.0° |
| CAP | CAM | CAK | H8 | 11.5° | 60.0° |
| CAP | CAM | CAK | H9 | 130.9° | 59.9° |
| CAP | CAM | H10 | H11 | 118.3° | 120.0° |
| CAM | CAP | CAD | H12 | 4.3° | 115.2° |
| CAM | CAP | CAD | H13 | 124.3° | 4.9° |
| CAM | CAP | CAD | H14 | 115.7° | 124.9° |
| CAM | CAP | CAJ | H15 | 1.3° | 5.1° |
| CAC | CAO | CAI | CAK | 0.4° | 5.3° |
| CAC | CAO | CAI | CAB | 179.8° | 179.9° |
| CAC | CAO | CAB | H1 | 180.0° | 120.0° |
| CAC | CAO | CAB | H2 | 60.0° | 0.1° |
| CAC | CAO | CAB | H3 | 60.0° | 120.0° |
| CAO | CAC | H4 | H5 | 120.0° | 120.0° |
| CAO | CAC | H4 | H6 | 120.0° | 120.0° |
| CAO | CAC | H5 | H6 | 120.0° | 120.0° |
| CAC | CAO | CAI | H7 | 179.6° | 174.7° |
| CAM | CAK | CAI | H8 | 120.3° | 120.0° |
| CAM | CAK | CAI | H9 | 120.3° | 120.0° |
| CAM | CAK | CAI | CAO | 165.1° | 124.9° |
| CAM | CAK | CAI | H7 | 14.9° | 55.1° |
| CAM | CAK | H8 | H9 | 119.1° | 120.0° |
| CAK | CAM | H10 | H11 | 118.4° | 120.0° |
| CAK | CAI | CAO | H7 | 180.0° | 180.0° |
| CAK | CAI | CAO | CAB | 179.4° | 174.7° |
| CAI | CAK | H8 | H9 | 119.2° | 120.0° |
| CAI | CAK | CAM | H10 | 130.6° | 60.0° |
| CAI | CAK | CAM | H11 | 11.7° | 60.0° |
| NAF | CAR | CAT | CAV | 180.0° | 180.0° |
| NAF | CAR | CAT | OAN | 0.6° | 0.1° |
| CAR | NAF | H21 | H22 | 120.0° | 180.0° |
| CAR | CAT | CAV | OAN | 179.4° | 179.9° |
| CAR | CAT | CAV | OAH | 179.9° | 180.0° |
| CAR | CAT | OAN | CAA | 82.8° | 114.0° |
| CAT | CAR | NAF | H21 | 0.9° | 175.3° |
| CAT | CAR | NAF | H22 | 120.9° | 4.7° |
| CAV | CAT | OAN | CAA | 97.8° | 66.1° |
| OAH | CAV | CAT | OAN | 0.6° | 0.0° |
| CAT | OAN | CAA | H23 | 180.0° | 65.0° |
| CAT | OAN | CAA | H24 | 60.0° | 175.1° |
| CAT | OAN | CAA | H25 | 60.0° | 55.1° |
| CAI | CAO | CAB | H1 | 0.2° | 60.0° |
| CAI | CAO | CAB | H2 | 119.8° | 180.0° |
| CAI | CAO | CAB | H3 | 120.2° | 60.1° |
| CAI | CAO | CAC | H4 | 180.0° | 64.9° |
| CAI | CAO | CAC | H5 | 60.0° | 175.1° |
| CAI | CAO | CAC | H6 | 60.0° | 55.1° |
| CAO | CAI | CAK | H8 | 44.8° | 115.1° |
| CAO | CAI | CAK | H9 | 74.7° | 4.9° |
| CAO | CAB | H1 | H2 | 120.0° | 120.0° |
| CAO | CAB | H1 | H3 | 120.0° | 120.0° |
| CAO | CAB | H2 | H3 | 120.0° | 119.9° |
| CAB | CAO | CAC | H4 | 0.2° | 115.2° |
| CAB | CAO | CAC | H5 | 119.8° | 4.8° |
| CAB | CAO | CAC | H6 | 120.2° | 124.8° |
| CAB | CAO | CAI | H7 | 0.6° | 5.3° |
| OAN | CAA | H23 | H24 | 120.0° | 119.9° |
| OAN | CAA | H23 | H25 | 120.0° | 120.1° |
| OAN | CAA | H24 | H25 | 120.0° | 120.0° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H4 | CAC | H5 | H6 | 120.0° | 120.0° |
| H7 | CAI | CAK | H8 | 135.2° | 64.9° |
| H7 | CAI | CAK | H9 | 105.3° | 175.1° |
| H8 | CAK | CAM | H10 | 109.1° | 180.0° |
| H8 | CAK | CAM | H11 | 132.0° | 60.0° |
| H9 | CAK | CAM | H10 | 10.3° | 60.0° |
| H9 | CAK | CAM | H11 | 108.6° | 179.9° |
| H12 | CAD | H13 | H14 | 120.0° | 120.0° |
| H15 | CAJ | CAL | H16 | 53.4° | 65.4° |
| H15 | CAJ | CAL | H17 | 172.5° | 174.5° |
| H18 | CAE | H19 | H20 | 120.0° | 120.0° |
| H23 | CAA | H24 | H25 | 120.0° | 120.0° |
