5ME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAL | doub | 1.38Å | 1.42Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAX | sing | 1.39Å | 1.37Å | Aromatic |
| CAG | CAK | doub | 1.38Å | 1.37Å | Aromatic |
| CAX | CAV | sing | 1.47Å | 1.40Å | |
| CAX | CAW | doub | 1.41Å | 1.38Å | Aromatic |
| CAK | CAW | sing | 1.40Å | 1.40Å | Aromatic |
| OAD | CAV | doub | 1.22Å | 1.23Å | |
| CAV | NAR | sing | 1.35Å | 1.37Å | |
| CAW | NAP | sing | 1.36Å | 1.37Å | |
| OAC | CAS | doub | 1.21Å | 1.23Å | |
| CAI | NAO | doub | 1.32Å | 1.43Å | Aromatic |
| CAI | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| NAO | CAU | sing | 1.32Å | 1.34Å | Aromatic |
| NAR | CAT | sing | 1.36Å | 1.34Å | |
| NAP | CAT | doub | 1.30Å | 1.35Å | |
| CAT | CAN | sing | 1.51Å | 1.36Å | |
| CAE | CAF | doub | 1.39Å | 1.38Å | Aromatic |
| CAS | NAQ | sing | 1.35Å | 1.36Å | |
| CAS | CAM | sing | 1.51Å | 1.50Å | |
| CAU | CAY | sing | 1.51Å | 1.37Å | |
| CAU | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | NAQ | sing | 1.47Å | 1.46Å | |
| CAY | CAA | sing | 1.53Å | 1.58Å | |
| CAN | CAM | sing | 1.53Å | 1.45Å | |
| CAF | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAY | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| NAQ | H9 | sing | 0.97Å | 1.00Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAH | H17 | sing | 1.08Å | 1.08Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| NAR | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAH | CAG | 118.9° | 120.5° |
| CAH | CAL | CAX | 119.7° | 119.5° |
| CAL | CAH | H17 | 120.6° | 119.7° |
| CAH | CAL | H18 | 120.2° | 120.3° |
| CAH | CAG | CAK | 121.4° | 120.9° |
| CAH | CAG | H16 | 119.3° | 119.6° |
| CAG | CAH | H17 | 120.6° | 119.7° |
| CAL | CAX | CAV | 120.2° | 122.0° |
| CAL | CAX | CAW | 120.9° | 120.1° |
| CAX | CAL | H18 | 120.2° | 120.2° |
| CAG | CAK | CAW | 119.0° | 119.6° |
| CAG | CAK | H15 | 120.5° | 120.1° |
| CAK | CAG | H16 | 119.3° | 119.6° |
| CAV | CAX | CAW | 118.9° | 118.0° |
| CAX | CAV | OAD | 125.1° | 121.3° |
| CAX | CAV | NAR | 117.1° | 117.5° |
| CAX | CAW | CAK | 120.0° | 119.4° |
| CAX | CAW | NAP | 121.5° | 119.0° |
| CAK | CAW | NAP | 118.4° | 121.6° |
| CAW | CAK | H15 | 120.4° | 120.2° |
| OAD | CAV | NAR | 117.6° | 121.3° |
| CAV | NAR | CAT | 122.5° | 120.6° |
| CAV | NAR | H14 | 118.8° | 119.7° |
| CAW | NAP | CAT | 118.1° | 121.6° |
| OAC | CAS | NAQ | 131.2° | 120.0° |
| OAC | CAS | CAM | 123.5° | 120.0° |
| NAO | CAI | CAE | 121.9° | 120.8° |
| CAI | NAO | CAU | 117.6° | 121.7° |
| NAO | CAI | H4 | 119.0° | 119.6° |
| CAI | CAE | CAF | 119.3° | 119.1° |
| CAI | CAE | H3 | 120.4° | 120.4° |
| CAE | CAI | H4 | 119.1° | 119.6° |
| NAO | CAU | CAY | 115.3° | 119.6° |
| NAO | CAU | CAJ | 121.5° | 120.7° |
| NAR | CAT | NAP | 121.5° | 123.4° |
| NAR | CAT | CAN | 109.4° | 118.3° |
| CAT | NAR | H14 | 118.8° | 119.7° |
| NAP | CAT | CAN | 127.8° | 118.3° |
| CAT | CAN | CAM | 137.0° | 109.5° |
| CAT | CAN | H12 | 102.2° | 109.5° |
| CAT | CAN | H13 | 102.2° | 109.5° |
| CAE | CAF | CAJ | 119.1° | 118.4° |
| CAE | CAF | H2 | 120.5° | 120.8° |
| CAF | CAE | H3 | 120.4° | 120.4° |
| NAQ | CAS | CAM | 105.1° | 120.0° |
| CAS | NAQ | CAY | 129.3° | 120.0° |
| CAS | NAQ | H9 | 115.4° | 120.0° |
| CAS | CAM | CAN | 132.3° | 109.5° |
| CAS | CAM | H10 | 103.5° | 109.5° |
| CAS | CAM | H11 | 103.5° | 109.5° |
| CAY | CAU | CAJ | 123.1° | 119.7° |
| CAU | CAY | NAQ | 120.1° | 109.5° |
| CAU | CAY | CAA | 104.7° | 109.5° |
| CAU | CAY | H5 | 110.4° | 109.5° |
| CAU | CAJ | CAF | 120.6° | 119.2° |
| CAU | CAJ | H1 | 119.7° | 120.4° |
| NAQ | CAY | CAA | 104.2° | 109.4° |
| NAQ | CAY | H5 | 109.0° | 109.5° |
| CAY | NAQ | H9 | 115.4° | 120.0° |
| CAA | CAY | H5 | 107.6° | 109.5° |
| CAY | CAA | H6 | 109.5° | 109.5° |
| CAY | CAA | H7 | 109.5° | 109.4° |
| CAY | CAA | H8 | 109.5° | 109.4° |
| CAN | CAM | H10 | 103.5° | 109.5° |
| CAN | CAM | H11 | 103.5° | 109.4° |
| CAM | CAN | H12 | 102.2° | 109.5° |
| CAM | CAN | H13 | 102.2° | 109.4° |
| CAF | CAJ | H1 | 119.7° | 120.4° |
| CAJ | CAF | H2 | 120.5° | 120.8° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H10 | CAM | H11 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAH | CAG | H17 | 180.0° | 179.9° |
| CAH | CAL | CAX | H18 | 180.0° | 180.0° |
| CAL | CAH | CAG | CAK | 2.9° | 0.1° |
| CAH | CAL | CAX | CAV | 178.9° | 180.0° |
| CAH | CAL | CAX | CAW | 0.6° | 0.1° |
| CAL | CAH | CAG | H16 | 177.1° | 179.9° |
| CAG | CAH | CAL | CAX | 2.9° | 0.1° |
| CAH | CAG | CAK | H16 | 180.0° | 180.0° |
| CAH | CAG | CAK | CAW | 0.6° | 0.0° |
| CAH | CAG | CAK | H15 | 179.4° | 180.0° |
| CAG | CAH | CAL | H18 | 177.1° | 179.9° |
| CAL | CAX | CAV | CAW | 179.6° | 180.0° |
| CAL | CAX | CAW | CAK | 1.7° | 0.0° |
| CAL | CAX | CAV | OAD | 3.4° | 0.0° |
| CAL | CAX | CAV | NAR | 178.6° | 179.8° |
| CAL | CAX | CAW | NAP | 178.1° | 179.9° |
| CAX | CAL | CAH | H17 | 177.1° | 180.0° |
| CAG | CAK | CAW | CAX | 1.7° | 0.0° |
| CAG | CAK | CAW | H15 | 180.0° | 180.0° |
| CAG | CAK | CAW | NAP | 178.2° | 180.0° |
| CAK | CAG | CAH | H17 | 177.1° | 180.0° |
| CAV | CAX | CAW | CAK | 178.8° | 180.0° |
| CAX | CAV | OAD | NAR | 175.2° | 179.8° |
| CAV | CAX | CAW | NAP | 2.4° | 0.0° |
| CAX | CAV | NAR | CAT | 4.2° | 0.5° |
| CAV | CAX | CAL | H18 | 1.1° | 0.0° |
| CAX | CAV | NAR | H14 | 175.8° | 180.0° |
| CAX | CAW | CAK | NAP | 176.5° | 180.0° |
| CAW | CAX | CAV | OAD | 177.1° | 179.9° |
| CAW | CAX | CAV | NAR | 1.8° | 0.2° |
| CAX | CAW | NAP | CAT | 5.1° | 0.0° |
| CAX | CAW | CAK | H15 | 178.3° | 180.0° |
| CAW | CAX | CAL | H18 | 179.4° | 180.0° |
| CAK | CAW | NAP | CAT | 178.5° | 180.0° |
| CAW | CAK | CAG | H16 | 179.4° | 179.9° |
| OAD | CAV | NAR | CAT | 179.8° | 179.7° |
| OAD | CAV | NAR | H14 | 0.2° | 0.2° |
| CAV | NAR | CAT | H14 | 180.0° | 179.5° |
| CAV | NAR | CAT | NAP | 7.2° | 0.5° |
| CAV | NAR | CAT | CAN | 175.0° | 179.8° |
| CAW | NAP | CAT | NAR | 7.4° | 0.2° |
| CAW | NAP | CAT | CAN | 172.8° | 180.0° |
| NAP | CAW | CAK | H15 | 1.8° | 0.0° |
| OAC | CAS | NAQ | CAM | 174.7° | 180.0° |
| OAC | CAS | NAQ | CAY | 17.9° | 0.0° |
| OAC | CAS | CAM | CAN | 23.4° | 0.0° |
| OAC | CAS | NAQ | H9 | 162.1° | 180.0° |
| OAC | CAS | CAM | H10 | 99.5° | 120.0° |
| OAC | CAS | CAM | H11 | 146.2° | 119.9° |
| NAO | CAI | CAE | H4 | 180.0° | 179.7° |
| NAO | CAI | CAE | CAF | 1.1° | 0.0° |
| CAI | NAO | CAU | CAY | 178.6° | 180.0° |
| CAI | NAO | CAU | CAJ | 3.0° | 0.5° |
| NAO | CAI | CAE | H3 | 178.9° | 180.0° |
| CAE | CAI | NAO | CAU | 0.9° | 0.3° |
| CAI | CAE | CAF | H3 | 180.0° | 179.9° |
| CAI | CAE | CAF | CAJ | 0.9° | 0.0° |
| CAI | CAE | CAF | H2 | 179.2° | 180.0° |
| NAO | CAU | CAY | CAJ | 175.5° | 179.5° |
| NAO | CAU | CAY | NAQ | 127.4° | 25.0° |
| NAO | CAU | CAY | CAA | 116.2° | 95.0° |
| NAO | CAU | CAJ | CAF | 3.3° | 0.5° |
| NAO | CAU | CAJ | H1 | 176.7° | 179.7° |
| CAU | NAO | CAI | H4 | 179.1° | 180.0° |
| NAO | CAU | CAY | H5 | 0.7° | 145.0° |
| NAR | CAT | NAP | CAN | 165.4° | 179.7° |
| NAR | CAT | CAN | CAM | 148.3° | 179.8° |
| NAR | CAT | CAN | H12 | 25.0° | 59.7° |
| NAR | CAT | CAN | H13 | 88.3° | 60.3° |
| NAP | CAT | CAN | CAM | 44.8° | 0.0° |
| NAP | CAT | CAN | H12 | 168.2° | 120.0° |
| NAP | CAT | CAN | H13 | 78.5° | 119.9° |
| NAP | CAT | NAR | H14 | 172.8° | 180.0° |
| CAT | CAN | CAM | CAS | 38.6° | 180.0° |
| CAT | CAN | CAM | H12 | 123.4° | 120.0° |
| CAT | CAN | CAM | H13 | 123.3° | 120.0° |
| CAT | CAN | CAM | H10 | 84.3° | 60.0° |
| CAT | CAN | CAM | H11 | 161.4° | 60.0° |
| CAT | CAN | H12 | H13 | 107.8° | 120.0° |
| CAN | CAT | NAR | H14 | 5.0° | 0.3° |
| CAE | CAF | CAJ | CAU | 1.3° | 0.3° |
| CAE | CAF | CAJ | H2 | 180.0° | 180.0° |
| CAE | CAF | CAJ | H1 | 178.8° | 180.0° |
| CAF | CAE | CAI | H4 | 178.9° | 179.7° |
| CAS | NAQ | CAY | CAU | 124.7° | 155.0° |
| CAS | NAQ | CAY | H9 | 180.0° | 180.0° |
| CAS | NAQ | CAY | CAA | 118.6° | 85.0° |
| NAQ | CAS | CAM | CAN | 161.4° | 180.0° |
| CAS | NAQ | CAY | H5 | 4.0° | 35.0° |
| NAQ | CAS | CAM | H10 | 75.7° | 60.0° |
| NAQ | CAS | CAM | H11 | 38.5° | 60.0° |
| CAM | CAS | NAQ | CAY | 156.8° | 180.0° |
| CAS | CAM | CAN | H10 | 122.9° | 120.0° |
| CAS | CAM | CAN | H11 | 122.9° | 120.0° |
| CAM | CAS | NAQ | H9 | 23.2° | 0.0° |
| CAS | CAM | H10 | H11 | 109.8° | 120.0° |
| CAS | CAM | CAN | H12 | 84.8° | 60.0° |
| CAS | CAM | CAN | H13 | 161.9° | 60.0° |
| CAU | CAY | NAQ | CAA | 116.7° | 120.0° |
| CAU | CAY | NAQ | H5 | 128.7° | 120.0° |
| CAU | CAY | CAA | H5 | 117.4° | 120.0° |
| CAY | CAU | CAJ | CAF | 178.6° | 180.0° |
| CAY | CAU | CAJ | H1 | 1.4° | 0.2° |
| CAU | CAY | CAA | H6 | 180.0° | 180.0° |
| CAU | CAY | CAA | H7 | 60.0° | 60.0° |
| CAU | CAY | CAA | H8 | 60.0° | 60.0° |
| CAU | CAY | NAQ | H9 | 55.3° | 25.0° |
| CAJ | CAU | CAY | NAQ | 57.0° | 155.5° |
| CAJ | CAU | CAY | CAA | 59.4° | 84.5° |
| CAU | CAJ | CAF | H1 | 180.0° | 179.8° |
| CAU | CAJ | CAF | H2 | 178.7° | 179.8° |
| CAJ | CAU | CAY | H5 | 174.9° | 35.5° |
| NAQ | CAY | CAA | H5 | 115.7° | 120.0° |
| NAQ | CAY | CAA | H6 | 53.1° | 60.0° |
| NAQ | CAY | CAA | H7 | 173.1° | 180.0° |
| NAQ | CAY | CAA | H8 | 66.9° | 60.0° |
| CAY | CAA | H6 | H7 | 120.0° | 120.0° |
| CAY | CAA | H6 | H8 | 120.0° | 120.0° |
| CAY | CAA | H7 | H8 | 120.0° | 119.9° |
| CAA | CAY | NAQ | H9 | 61.4° | 95.0° |
| CAN | CAM | H10 | H11 | 109.9° | 120.0° |
| CAM | CAN | H12 | H13 | 107.8° | 120.0° |
| CAJ | CAF | CAE | H3 | 179.1° | 180.0° |
| H1 | CAJ | CAF | H2 | 1.3° | 0.0° |
| H2 | CAF | CAE | H3 | 0.8° | 0.1° |
| H3 | CAE | CAI | H4 | 1.1° | 0.3° |
| H5 | CAY | CAA | H6 | 62.6° | 60.0° |
| H5 | CAY | CAA | H7 | 57.4° | 60.0° |
| H5 | CAY | CAA | H8 | 177.4° | 180.0° |
| H5 | CAY | NAQ | H9 | 176.0° | 145.0° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H10 | CAM | CAN | H12 | 152.3° | 180.0° |
| H10 | CAM | CAN | H13 | 39.0° | 60.0° |
| H11 | CAM | CAN | H12 | 38.1° | 60.0° |
| H11 | CAM | CAN | H13 | 75.2° | 180.0° |
| H15 | CAK | CAG | H16 | 0.6° | 0.0° |
| H16 | CAG | CAH | H17 | 2.9° | 0.0° |
| H17 | CAH | CAL | H18 | 2.9° | 0.0° |
