5U0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAA | sing | 1.51Å | 1.53Å | |
| CAB | CAA | sing | 1.51Å | 1.47Å | |
| CAA | CAC | doub | 1.31Å | 1.52Å | |
| CAC | CAE | sing | 1.51Å | 1.50Å | |
| CAE | CAF | sing | 1.53Å | 1.54Å | |
| CAF | CAG | sing | 1.51Å | 1.53Å | |
| CAH | CAG | doub | 1.31Å | 1.53Å | |
| CAH | CAJ | sing | 1.51Å | 1.54Å | |
| CAG | CAI | sing | 1.51Å | 1.51Å | |
| CAJ | CAK | sing | 1.53Å | 1.55Å | |
| CAK | CAL | sing | 1.51Å | 1.54Å | |
| CAL | CAM | doub | 1.31Å | 1.50Å | |
| CAL | CAN | sing | 1.51Å | 1.49Å | |
| CAM | CAO | sing | 1.51Å | 1.50Å | |
| CB | SAP | sing | 1.81Å | 1.80Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| SAP | CAO | sing | 1.81Å | 1.82Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | OAV | sing | 1.34Å | 1.33Å | |
| OAV | CAW | sing | 1.45Å | 1.44Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAJ | H16 | sing | 1.09Å | 1.10Å | |
| CAJ | H17 | sing | 1.09Å | 1.10Å | |
| CAK | H18 | sing | 1.09Å | 1.10Å | |
| CAK | H19 | sing | 1.09Å | 1.10Å | |
| CAN | H20 | sing | 1.09Å | 1.10Å | |
| CAN | H21 | sing | 1.09Å | 1.10Å | |
| CAN | H22 | sing | 1.09Å | 1.10Å | |
| CAM | H23 | sing | 1.08Å | 1.08Å | |
| CAO | H24 | sing | 1.09Å | 1.10Å | |
| CAO | H25 | sing | 1.09Å | 1.10Å | |
| CB | H26 | sing | 1.09Å | 1.10Å | |
| CB | H27 | sing | 1.09Å | 1.10Å | |
| CA | H28 | sing | 1.09Å | 1.10Å | |
| N | H29 | sing | 1.01Å | 1.00Å | |
| N | H30 | sing | 1.01Å | 1.00Å | |
| CAW | H32 | sing | 1.09Å | 1.10Å | |
| CAW | H33 | sing | 1.09Å | 1.10Å | |
| CAW | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAA | CAB | 120.2° | 120.0° |
| CAD | CAA | CAC | 124.3° | 120.0° |
| CAA | CAD | H4 | 109.5° | 109.5° |
| CAA | CAD | H5 | 109.4° | 109.5° |
| CAA | CAD | H6 | 109.5° | 109.4° |
| CAB | CAA | CAC | 115.5° | 120.0° |
| CAA | CAB | H1 | 109.5° | 109.5° |
| CAA | CAB | H2 | 109.5° | 109.4° |
| CAA | CAB | H3 | 109.5° | 109.5° |
| CAA | CAC | CAE | 120.6° | 120.0° |
| CAA | CAC | H7 | 119.7° | 120.0° |
| CAC | CAE | CAF | 112.8° | 109.4° |
| CAE | CAC | H7 | 119.7° | 120.0° |
| CAC | CAE | H8 | 108.6° | 109.5° |
| CAC | CAE | H9 | 108.7° | 109.5° |
| CAE | CAF | CAG | 118.1° | 109.5° |
| CAF | CAE | H8 | 108.6° | 109.5° |
| CAF | CAE | H9 | 108.6° | 109.4° |
| CAE | CAF | H10 | 107.3° | 109.5° |
| CAE | CAF | H11 | 107.2° | 109.4° |
| CAF | CAG | CAH | 124.0° | 120.0° |
| CAF | CAG | CAI | 114.8° | 120.0° |
| CAG | CAF | H10 | 107.3° | 109.5° |
| CAG | CAF | H11 | 107.3° | 109.5° |
| CAG | CAH | CAJ | 119.8° | 120.0° |
| CAH | CAG | CAI | 121.0° | 120.1° |
| CAG | CAH | H15 | 120.1° | 120.0° |
| CAH | CAJ | CAK | 109.9° | 109.4° |
| CAJ | CAH | H15 | 120.1° | 120.0° |
| CAH | CAJ | H16 | 109.3° | 109.4° |
| CAH | CAJ | H17 | 109.4° | 109.5° |
| CAG | CAI | H12 | 109.5° | 109.5° |
| CAG | CAI | H13 | 109.5° | 109.4° |
| CAG | CAI | H14 | 109.5° | 109.4° |
| CAJ | CAK | CAL | 111.6° | 109.4° |
| CAK | CAJ | H16 | 109.4° | 109.5° |
| CAK | CAJ | H17 | 109.3° | 109.5° |
| CAJ | CAK | H18 | 108.9° | 109.5° |
| CAJ | CAK | H19 | 108.9° | 109.5° |
| CAK | CAL | CAM | 120.6° | 120.0° |
| CAK | CAL | CAN | 119.2° | 120.0° |
| CAL | CAK | H18 | 108.9° | 109.4° |
| CAL | CAK | H19 | 109.0° | 109.5° |
| CAM | CAL | CAN | 119.7° | 120.0° |
| CAL | CAM | CAO | 120.1° | 120.0° |
| CAL | CAM | H23 | 119.9° | 120.0° |
| CAL | CAN | H20 | 109.5° | 109.5° |
| CAL | CAN | H21 | 109.5° | 109.5° |
| CAL | CAN | H22 | 109.5° | 109.5° |
| CAM | CAO | SAP | 108.5° | 109.5° |
| CAO | CAM | H23 | 120.0° | 120.0° |
| CAM | CAO | H24 | 109.7° | 109.5° |
| CAM | CAO | H25 | 109.7° | 109.5° |
| SAP | CB | CA | 105.7° | 109.5° |
| CB | SAP | CAO | 91.6° | 103.0° |
| SAP | CB | H26 | 110.4° | 109.5° |
| SAP | CB | H27 | 110.4° | 109.5° |
| CB | CA | N | 108.0° | 109.4° |
| CB | CA | C | 114.0° | 109.4° |
| CA | CB | H26 | 110.4° | 109.5° |
| CA | CB | H27 | 110.4° | 109.5° |
| CB | CA | H28 | 109.7° | 109.5° |
| SAP | CAO | H24 | 109.7° | 109.5° |
| SAP | CAO | H25 | 109.7° | 109.4° |
| N | CA | C | 103.5° | 109.5° |
| N | CA | H28 | 111.4° | 109.5° |
| CA | N | H29 | 109.5° | 111.0° |
| CA | N | H30 | 109.4° | 111.0° |
| CA | C | O | 121.6° | 120.1° |
| CA | C | OAV | 112.9° | 120.0° |
| C | CA | H28 | 110.1° | 109.5° |
| O | C | OAV | 125.1° | 120.0° |
| C | OAV | CAW | 113.3° | 117.0° |
| OAV | CAW | H32 | 109.5° | 109.5° |
| OAV | CAW | H33 | 109.5° | 109.5° |
| OAV | CAW | H34 | 109.5° | 109.5° |
| H1 | CAB | H2 | 109.4° | 109.5° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H4 | CAD | H5 | 109.5° | 109.5° |
| H4 | CAD | H6 | 109.4° | 109.5° |
| H5 | CAD | H6 | 109.5° | 109.4° |
| H8 | CAE | H9 | 109.5° | 109.5° |
| H10 | CAF | H11 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.4° | 109.5° |
| H12 | CAI | H14 | 109.5° | 109.5° |
| H13 | CAI | H14 | 109.5° | 109.5° |
| H16 | CAJ | H17 | 109.5° | 109.5° |
| H18 | CAK | H19 | 109.5° | 109.5° |
| H20 | CAN | H21 | 109.5° | 109.5° |
| H20 | CAN | H22 | 109.5° | 109.5° |
| H21 | CAN | H22 | 109.4° | 109.4° |
| H24 | CAO | H25 | 109.4° | 109.5° |
| H26 | CB | H27 | 109.5° | 109.5° |
| H29 | N | H30 | 109.5° | 111.0° |
| H32 | CAW | H33 | 109.4° | 109.5° |
| H32 | CAW | H34 | 109.5° | 109.4° |
| H33 | CAW | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAA | CAB | CAC | 177.9° | 179.9° |
| CAD | CAA | CAC | CAE | 3.3° | 174.5° |
| CAD | CAA | CAB | H1 | 180.0° | 125.0° |
| CAD | CAA | CAB | H2 | 60.0° | 5.1° |
| CAD | CAA | CAB | H3 | 60.0° | 114.9° |
| CAA | CAD | H4 | H5 | 120.0° | 120.1° |
| CAA | CAD | H4 | H6 | 120.0° | 120.0° |
| CAA | CAD | H5 | H6 | 120.0° | 119.9° |
| CAD | CAA | CAC | H7 | 176.7° | 5.6° |
| CAB | CAA | CAC | CAE | 174.5° | 5.4° |
| CAA | CAB | H1 | H2 | 120.0° | 119.9° |
| CAA | CAB | H1 | H3 | 120.0° | 120.1° |
| CAA | CAB | H2 | H3 | 120.0° | 120.0° |
| CAB | CAA | CAD | H4 | 180.0° | 90.0° |
| CAB | CAA | CAD | H5 | 60.0° | 149.9° |
| CAB | CAA | CAD | H6 | 60.0° | 30.0° |
| CAB | CAA | CAC | H7 | 5.5° | 174.4° |
| CAA | CAC | CAE | H7 | 180.0° | 179.9° |
| CAA | CAC | CAE | CAF | 140.1° | 125.5° |
| CAC | CAA | CAB | H1 | 2.2° | 55.0° |
| CAC | CAA | CAB | H2 | 122.1° | 175.0° |
| CAC | CAA | CAB | H3 | 117.9° | 65.0° |
| CAC | CAA | CAD | H4 | 2.3° | 90.0° |
| CAC | CAA | CAD | H5 | 117.7° | 30.0° |
| CAC | CAA | CAD | H6 | 122.3° | 149.9° |
| CAA | CAC | CAE | H8 | 99.4° | 114.5° |
| CAA | CAC | CAE | H9 | 19.6° | 5.6° |
| CAC | CAE | CAF | H8 | 120.5° | 120.1° |
| CAC | CAE | CAF | H9 | 120.5° | 119.9° |
| CAC | CAE | CAF | CAG | 65.2° | 180.0° |
| CAC | CAE | H8 | H9 | 118.5° | 120.0° |
| CAC | CAE | CAF | H10 | 173.6° | 60.0° |
| CAC | CAE | CAF | H11 | 56.0° | 60.1° |
| CAE | CAF | CAG | H10 | 121.2° | 120.0° |
| CAE | CAF | CAG | H11 | 121.2° | 120.0° |
| CAE | CAF | CAG | CAH | 12.7° | 95.0° |
| CAE | CAF | CAG | CAI | 163.2° | 85.0° |
| CAF | CAE | CAC | H7 | 39.9° | 54.6° |
| CAF | CAE | H8 | H9 | 118.5° | 120.0° |
| CAE | CAF | H10 | H11 | 116.1° | 120.0° |
| CAF | CAG | CAH | CAI | 175.7° | 180.0° |
| CAF | CAG | CAH | CAJ | 178.8° | 174.5° |
| CAG | CAF | CAE | H8 | 55.3° | 60.0° |
| CAG | CAF | CAE | H9 | 174.3° | 60.0° |
| CAG | CAF | H10 | H11 | 116.1° | 120.0° |
| CAF | CAG | CAI | H12 | 180.0° | 5.0° |
| CAF | CAG | CAI | H13 | 60.0° | 115.0° |
| CAF | CAG | CAI | H14 | 60.0° | 125.1° |
| CAF | CAG | CAH | H15 | 1.2° | 5.6° |
| CAG | CAH | CAJ | H15 | 180.0° | 180.0° |
| CAG | CAH | CAJ | CAK | 69.8° | 125.5° |
| CAH | CAG | CAF | H10 | 108.5° | 25.0° |
| CAH | CAG | CAF | H11 | 133.9° | 145.0° |
| CAH | CAG | CAI | H12 | 3.9° | 175.0° |
| CAH | CAG | CAI | H13 | 123.9° | 65.0° |
| CAH | CAG | CAI | H14 | 116.1° | 54.9° |
| CAG | CAH | CAJ | H16 | 50.3° | 114.6° |
| CAG | CAH | CAJ | H17 | 170.2° | 5.4° |
| CAJ | CAH | CAG | CAI | 5.4° | 5.6° |
| CAH | CAJ | CAK | H16 | 120.1° | 119.9° |
| CAH | CAJ | CAK | H17 | 120.1° | 120.0° |
| CAH | CAJ | CAK | CAL | 168.2° | 180.0° |
| CAH | CAJ | H16 | H17 | 119.8° | 120.0° |
| CAH | CAJ | CAK | H18 | 71.5° | 60.1° |
| CAH | CAJ | CAK | H19 | 47.8° | 60.0° |
| CAI | CAG | CAF | H10 | 75.5° | 155.0° |
| CAI | CAG | CAF | H11 | 42.0° | 35.0° |
| CAG | CAI | H12 | H13 | 120.0° | 120.0° |
| CAG | CAI | H12 | H14 | 120.0° | 120.0° |
| CAG | CAI | H13 | H14 | 120.0° | 119.9° |
| CAI | CAG | CAH | H15 | 174.6° | 174.4° |
| CAJ | CAK | CAL | H18 | 120.3° | 120.0° |
| CAJ | CAK | CAL | H19 | 120.3° | 120.0° |
| CAJ | CAK | CAL | CAM | 24.0° | 95.0° |
| CAJ | CAK | CAL | CAN | 163.2° | 85.0° |
| CAK | CAJ | CAH | H15 | 110.2° | 54.6° |
| CAK | CAJ | H16 | H17 | 119.8° | 120.1° |
| CAJ | CAK | H18 | H19 | 119.0° | 120.1° |
| CAK | CAL | CAM | CAN | 172.7° | 179.9° |
| CAK | CAL | CAM | CAO | 174.1° | 175.1° |
| CAL | CAK | CAJ | H16 | 48.1° | 60.1° |
| CAL | CAK | CAJ | H17 | 71.8° | 60.0° |
| CAL | CAK | H18 | H19 | 119.1° | 120.0° |
| CAK | CAL | CAN | H20 | 180.0° | 4.4° |
| CAK | CAL | CAN | H21 | 60.0° | 124.4° |
| CAK | CAL | CAN | H22 | 60.0° | 115.6° |
| CAK | CAL | CAM | H23 | 6.0° | 4.9° |
| CAL | CAM | CAO | H23 | 180.0° | 180.0° |
| CAL | CAM | CAO | SAP | 142.7° | 114.6° |
| CAM | CAL | CAK | H18 | 96.3° | 25.0° |
| CAM | CAL | CAK | H19 | 144.3° | 145.0° |
| CAM | CAL | CAN | H20 | 7.2° | 175.6° |
| CAM | CAL | CAN | H21 | 112.9° | 55.6° |
| CAM | CAL | CAN | H22 | 127.2° | 64.4° |
| CAL | CAM | CAO | H24 | 22.8° | 125.4° |
| CAL | CAM | CAO | H25 | 97.5° | 5.4° |
| CAN | CAL | CAM | CAO | 13.2° | 5.0° |
| CAN | CAL | CAK | H18 | 76.5° | 155.0° |
| CAN | CAL | CAK | H19 | 42.9° | 35.0° |
| CAL | CAN | H20 | H21 | 120.0° | 120.0° |
| CAL | CAN | H20 | H22 | 120.0° | 120.0° |
| CAL | CAN | H21 | H22 | 120.0° | 120.0° |
| CAN | CAL | CAM | H23 | 166.8° | 175.0° |
| CAM | CAO | SAP | CB | 75.5° | 180.0° |
| CAM | CAO | SAP | H24 | 119.9° | 120.0° |
| CAM | CAO | SAP | H25 | 119.8° | 120.0° |
| CAM | CAO | H24 | H25 | 120.5° | 120.0° |
| SAP | CB | CA | H26 | 119.4° | 120.0° |
| SAP | CB | CA | H27 | 119.4° | 120.0° |
| SAP | CB | CA | N | 171.9° | 60.0° |
| SAP | CB | CA | C | 57.5° | 180.0° |
| CB | SAP | CAO | H24 | 44.4° | 60.0° |
| CB | SAP | CAO | H25 | 164.7° | 60.0° |
| SAP | CB | H26 | H27 | 121.7° | 120.0° |
| SAP | CB | CA | H28 | 66.5° | 60.0° |
| CA | CB | SAP | CAO | 87.9° | 180.0° |
| CB | CA | N | C | 121.2° | 119.9° |
| CB | CA | N | H28 | 120.6° | 120.0° |
| CB | CA | C | H28 | 123.8° | 120.0° |
| CB | CA | C | O | 57.1° | 100.0° |
| CB | CA | C | OAV | 129.4° | 80.1° |
| CA | CB | H26 | H27 | 121.7° | 120.0° |
| CB | CA | N | H29 | 180.0° | 176.1° |
| CB | CA | N | H30 | 60.0° | 60.0° |
| SAP | CAO | CAM | H23 | 37.3° | 65.4° |
| SAP | CAO | H24 | H25 | 120.5° | 120.0° |
| CAO | SAP | CB | H26 | 152.7° | 60.0° |
| CAO | SAP | CB | H27 | 31.6° | 60.0° |
| N | CA | C | H28 | 119.1° | 120.0° |
| N | CA | C | O | 60.0° | 19.9° |
| N | CA | C | OAV | 113.5° | 160.0° |
| N | CA | CB | H26 | 52.5° | 180.0° |
| N | CA | CB | H27 | 68.7° | 60.0° |
| CA | N | H29 | H30 | 120.0° | 123.9° |
| CA | C | O | OAV | 172.8° | 179.9° |
| CA | C | OAV | CAW | 155.9° | 180.0° |
| C | CA | CB | H26 | 61.9° | 60.1° |
| C | CA | CB | H27 | 176.9° | 60.0° |
| C | CA | N | H29 | 58.8° | 64.0° |
| C | CA | N | H30 | 61.2° | 59.9° |
| O | C | OAV | CAW | 17.4° | 0.0° |
| O | C | CA | H28 | 179.2° | 140.0° |
| OAV | C | CA | H28 | 5.6° | 40.0° |
| C | OAV | CAW | H32 | 180.0° | 60.0° |
| C | OAV | CAW | H33 | 60.0° | 60.0° |
| C | OAV | CAW | H34 | 60.0° | 180.0° |
| OAV | CAW | H32 | H33 | 120.0° | 120.0° |
| OAV | CAW | H32 | H34 | 120.0° | 120.0° |
| OAV | CAW | H33 | H34 | 120.0° | 120.0° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H4 | CAD | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | CAE | H8 | 80.6° | 65.4° |
| H7 | CAC | CAE | H9 | 160.4° | 174.6° |
| H8 | CAE | CAF | H10 | 65.9° | 180.0° |
| H8 | CAE | CAF | H11 | 176.5° | 60.0° |
| H9 | CAE | CAF | H10 | 53.1° | 60.0° |
| H9 | CAE | CAF | H11 | 64.5° | 180.0° |
| H12 | CAI | H13 | H14 | 120.0° | 120.1° |
| H15 | CAH | CAJ | H16 | 129.7° | 65.4° |
| H15 | CAH | CAJ | H17 | 9.9° | 174.6° |
| H16 | CAJ | CAK | H18 | 168.4° | 180.0° |
| H16 | CAJ | CAK | H19 | 72.2° | 59.9° |
| H17 | CAJ | CAK | H18 | 48.6° | 60.0° |
| H17 | CAJ | CAK | H19 | 167.9° | 180.0° |
| H20 | CAN | H21 | H22 | 120.0° | 120.0° |
| H23 | CAM | CAO | H24 | 157.2° | 54.6° |
| H23 | CAM | CAO | H25 | 82.5° | 174.6° |
| H26 | CB | CA | H28 | 174.1° | 60.0° |
| H27 | CB | CA | H28 | 52.9° | 180.0° |
| H28 | CA | N | H29 | 59.4° | 56.1° |
| H28 | CA | N | H30 | 179.4° | 180.0° |
| H32 | CAW | H33 | H34 | 120.0° | 120.0° |
