0M6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG | sing | 1.53Å | 1.56Å | |
| CG | CB | sing | 1.53Å | 1.51Å | |
| CG | CD1 | sing | 1.53Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CAH | CAJ | doub | 1.38Å | 1.42Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | OAF | sing | 1.43Å | 1.40Å | |
| CAX | CAZ | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| C | NAQ | sing | 1.35Å | 1.33Å | |
| N | CAU | sing | 1.35Å | 1.35Å | |
| NAQ | CAZ | sing | 1.46Å | 1.46Å | |
| CAZ | CAN | sing | 1.53Å | 1.57Å | |
| CAK | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | NAP | sing | 1.40Å | 1.34Å | |
| CAU | NAP | sing | 1.35Å | 1.36Å | |
| CAU | SAG | doub | 1.71Å | 1.67Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| CAM | OAE | sing | 1.43Å | 1.43Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| NAP | H6 | sing | 0.97Å | 1.00Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CG | H11 | sing | 1.09Å | 1.10Å | |
| CD2 | H12 | sing | 1.09Å | 1.10Å | |
| CD2 | H13 | sing | 1.09Å | 1.10Å | |
| CD2 | H14 | sing | 1.09Å | 1.10Å | |
| CD1 | H15 | sing | 1.09Å | 1.10Å | |
| CD1 | H16 | sing | 1.09Å | 1.10Å | |
| CD1 | H17 | sing | 1.09Å | 1.10Å | |
| NAQ | H18 | sing | 0.97Å | 1.00Å | |
| CAZ | H19 | sing | 1.09Å | 1.10Å | |
| CAX | H20 | sing | 1.09Å | 1.10Å | |
| CAX | H21 | sing | 1.09Å | 1.10Å | |
| OAF | H22 | sing | 0.97Å | 0.95Å | |
| CAN | H23 | sing | 1.09Å | 1.10Å | |
| CAN | H24 | sing | 1.09Å | 1.10Å | |
| CAM | H25 | sing | 1.09Å | 1.10Å | |
| CAM | H26 | sing | 1.09Å | 1.10Å | |
| OAE | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 114.6° | 109.5° |
| CD2 | CG | CD1 | 113.4° | 109.5° |
| CD2 | CG | H11 | 106.4° | 109.4° |
| CG | CD2 | H12 | 109.5° | 109.5° |
| CG | CD2 | H13 | 109.5° | 109.5° |
| CG | CD2 | H14 | 109.5° | 109.4° |
| CB | CG | CD1 | 108.2° | 109.5° |
| CG | CB | CA | 113.6° | 109.5° |
| CG | CB | H9 | 108.4° | 109.5° |
| CG | CB | H10 | 108.4° | 109.5° |
| CB | CG | H11 | 106.8° | 109.5° |
| CD1 | CG | H11 | 107.0° | 109.5° |
| CG | CD1 | H15 | 109.5° | 109.5° |
| CG | CD1 | H16 | 109.4° | 109.5° |
| CG | CD1 | H17 | 109.5° | 109.5° |
| CB | CA | C | 103.3° | 109.4° |
| CB | CA | N | 109.9° | 109.5° |
| CB | CA | H8 | 110.1° | 109.5° |
| CA | CB | H9 | 108.4° | 109.4° |
| CA | CB | H10 | 108.4° | 109.5° |
| CAJ | CAH | CAI | 120.2° | 120.1° |
| CAH | CAJ | CAL | 118.3° | 120.0° |
| CAJ | CAH | H3 | 119.9° | 119.9° |
| CAH | CAJ | H4 | 120.8° | 120.0° |
| CAH | CAI | CAK | 121.6° | 120.1° |
| CAH | CAI | H2 | 119.2° | 119.9° |
| CAI | CAH | H3 | 119.9° | 120.0° |
| CAJ | CAL | CAV | 120.6° | 120.0° |
| CAL | CAJ | H4 | 120.8° | 120.0° |
| CAJ | CAL | H5 | 119.7° | 120.0° |
| OAF | CAX | CAZ | 107.4° | 109.4° |
| OAF | CAX | H20 | 110.0° | 109.5° |
| OAF | CAX | H21 | 110.0° | 109.5° |
| CAX | OAF | H22 | 109.5° | 113.9° |
| CAX | CAZ | NAQ | 105.0° | 109.5° |
| CAX | CAZ | CAN | 115.4° | 109.5° |
| CAX | CAZ | H19 | 107.5° | 109.5° |
| CAZ | CAX | H20 | 110.0° | 109.4° |
| CAZ | CAX | H21 | 110.0° | 109.4° |
| O | C | CA | 122.9° | 120.0° |
| O | C | NAQ | 123.7° | 120.0° |
| C | CA | N | 112.1° | 109.5° |
| CA | C | NAQ | 113.4° | 120.0° |
| C | CA | H8 | 110.1° | 109.4° |
| CA | N | CAU | 123.6° | 120.0° |
| CA | N | H7 | 118.2° | 120.0° |
| N | CA | H8 | 111.1° | 109.5° |
| CAI | CAK | CAV | 118.1° | 119.9° |
| CAI | CAK | H1 | 121.0° | 120.0° |
| CAK | CAI | H2 | 119.2° | 120.0° |
| CAL | CAV | CAK | 121.2° | 119.8° |
| CAL | CAV | NAP | 119.7° | 120.1° |
| CAV | CAL | H5 | 119.7° | 120.0° |
| C | NAQ | CAZ | 120.8° | 120.0° |
| C | NAQ | H18 | 119.6° | 119.9° |
| N | CAU | NAP | 125.1° | 120.0° |
| N | CAU | SAG | 117.2° | 120.0° |
| CAU | N | H7 | 118.2° | 120.0° |
| NAQ | CAZ | CAN | 113.4° | 109.4° |
| CAZ | NAQ | H18 | 119.6° | 120.0° |
| NAQ | CAZ | H19 | 108.2° | 109.4° |
| CAZ | CAN | CAM | 109.8° | 109.5° |
| CAN | CAZ | H19 | 107.0° | 109.5° |
| CAZ | CAN | H23 | 109.4° | 109.5° |
| CAZ | CAN | H24 | 109.4° | 109.5° |
| CAK | CAV | NAP | 119.1° | 120.1° |
| CAV | CAK | H1 | 120.9° | 120.0° |
| CAV | NAP | CAU | 122.8° | 120.0° |
| CAV | NAP | H6 | 118.6° | 120.0° |
| NAP | CAU | SAG | 117.7° | 120.0° |
| CAU | NAP | H6 | 118.6° | 120.0° |
| CAN | CAM | OAE | 111.1° | 109.5° |
| CAM | CAN | H23 | 109.4° | 109.4° |
| CAM | CAN | H24 | 109.4° | 109.4° |
| CAN | CAM | H25 | 109.1° | 109.5° |
| CAN | CAM | H26 | 109.0° | 109.4° |
| OAE | CAM | H25 | 109.0° | 109.5° |
| OAE | CAM | H26 | 109.1° | 109.5° |
| CAM | OAE | H27 | 109.5° | 114.0° |
| H9 | CB | H10 | 109.5° | 109.4° |
| H12 | CD2 | H13 | 109.5° | 109.5° |
| H12 | CD2 | H14 | 109.4° | 109.5° |
| H13 | CD2 | H14 | 109.5° | 109.5° |
| H15 | CD1 | H16 | 109.5° | 109.4° |
| H15 | CD1 | H17 | 109.5° | 109.5° |
| H16 | CD1 | H17 | 109.5° | 109.4° |
| H20 | CAX | H21 | 109.5° | 109.5° |
| H23 | CAN | H24 | 109.5° | 109.5° |
| H25 | CAM | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 127.6° | 120.0° |
| CD2 | CG | CB | H11 | 117.6° | 120.0° |
| CD2 | CG | CD1 | H11 | 117.0° | 119.9° |
| CD2 | CG | CB | CA | 174.7° | 64.4° |
| CD2 | CG | CB | H9 | 54.1° | 55.6° |
| CD2 | CG | CB | H10 | 64.7° | 175.6° |
| CG | CD2 | H12 | H13 | 120.0° | 120.0° |
| CG | CD2 | H12 | H14 | 120.0° | 120.0° |
| CG | CD2 | H13 | H14 | 120.0° | 119.9° |
| CD2 | CG | CD1 | H15 | 180.0° | 180.0° |
| CD2 | CG | CD1 | H16 | 60.0° | 60.0° |
| CD2 | CG | CD1 | H17 | 60.0° | 60.0° |
| CB | CG | CD1 | H11 | 114.7° | 120.0° |
| CG | CB | CA | H9 | 120.6° | 120.0° |
| CG | CB | CA | H10 | 120.6° | 120.1° |
| CG | CB | CA | C | 175.2° | 61.3° |
| CG | CB | CA | N | 55.4° | 178.7° |
| CG | CB | CA | H8 | 67.3° | 58.6° |
| CG | CB | H9 | H10 | 118.1° | 120.0° |
| CB | CG | CD2 | H12 | 180.0° | 176.0° |
| CB | CG | CD2 | H13 | 60.0° | 55.9° |
| CB | CG | CD2 | H14 | 60.0° | 64.0° |
| CB | CG | CD1 | H15 | 51.7° | 60.0° |
| CB | CG | CD1 | H16 | 171.7° | 180.0° |
| CB | CG | CD1 | H17 | 68.3° | 60.0° |
| CD1 | CG | CB | CA | 47.1° | 175.6° |
| CD1 | CG | CB | H9 | 73.5° | 64.4° |
| CD1 | CG | CB | H10 | 167.7° | 55.6° |
| CD1 | CG | CD2 | H12 | 55.1° | 64.0° |
| CD1 | CG | CD2 | H13 | 175.2° | 175.9° |
| CD1 | CG | CD2 | H14 | 64.9° | 56.0° |
| CG | CD1 | H15 | H16 | 120.0° | 120.0° |
| CG | CD1 | H15 | H17 | 120.0° | 120.1° |
| CG | CD1 | H16 | H17 | 120.0° | 120.1° |
| CB | CA | C | O | 85.7° | 98.1° |
| CB | CA | C | N | 118.3° | 120.0° |
| CB | CA | C | H8 | 117.5° | 120.0° |
| CB | CA | N | H8 | 122.1° | 120.1° |
| CB | CA | C | NAQ | 91.5° | 82.0° |
| CB | CA | N | CAU | 175.4° | 82.0° |
| CB | CA | N | H7 | 4.7° | 97.9° |
| CA | CB | H9 | H10 | 118.1° | 119.9° |
| CA | CB | CG | H11 | 67.7° | 55.6° |
| CAJ | CAH | CAI | H3 | 180.0° | 180.0° |
| CAH | CAJ | CAL | H4 | 180.0° | 180.0° |
| CAJ | CAH | CAI | CAK | 0.4° | 0.0° |
| CAH | CAJ | CAL | CAV | 0.6° | 0.0° |
| CAJ | CAH | CAI | H2 | 179.6° | 180.0° |
| CAH | CAJ | CAL | H5 | 179.4° | 179.9° |
| CAI | CAH | CAJ | CAL | 0.5° | 0.0° |
| CAH | CAI | CAK | H2 | 180.0° | 179.9° |
| CAH | CAI | CAK | CAV | 0.5° | 0.0° |
| CAH | CAI | CAK | H1 | 179.5° | 179.7° |
| CAI | CAH | CAJ | H4 | 179.5° | 180.0° |
| CAJ | CAL | CAV | H5 | 180.0° | 180.0° |
| CAJ | CAL | CAV | CAK | 0.6° | 0.0° |
| CAJ | CAL | CAV | NAP | 178.6° | 179.7° |
| CAL | CAJ | CAH | H3 | 179.5° | 180.0° |
| OAF | CAX | CAZ | H20 | 119.7° | 120.0° |
| OAF | CAX | CAZ | H21 | 119.7° | 120.0° |
| OAF | CAX | CAZ | NAQ | 171.4° | 65.0° |
| OAF | CAX | CAZ | CAN | 45.8° | 55.0° |
| OAF | CAX | CAZ | H19 | 73.5° | 175.0° |
| OAF | CAX | H20 | H21 | 121.0° | 120.1° |
| CAX | CAZ | NAQ | C | 114.7° | 85.0° |
| CAX | CAZ | NAQ | CAN | 126.9° | 120.0° |
| CAX | CAZ | NAQ | H19 | 114.6° | 120.0° |
| CAX | CAZ | CAN | H19 | 119.5° | 120.0° |
| CAX | CAZ | CAN | CAM | 166.6° | 175.0° |
| CAX | CAZ | NAQ | H18 | 65.3° | 95.0° |
| CAZ | CAX | H20 | H21 | 120.9° | 120.0° |
| CAZ | CAX | OAF | H22 | 180.0° | 180.0° |
| CAX | CAZ | CAN | H23 | 73.3° | 65.0° |
| CAX | CAZ | CAN | H24 | 46.6° | 55.0° |
| O | C | CA | NAQ | 177.2° | 179.9° |
| O | C | CA | N | 32.5° | 22.0° |
| O | C | NAQ | CAZ | 1.2° | 5.5° |
| O | C | CA | H8 | 156.7° | 142.0° |
| O | C | NAQ | H18 | 178.8° | 174.4° |
| C | CA | N | H8 | 123.6° | 119.9° |
| C | CA | N | CAU | 70.3° | 158.0° |
| CA | C | NAQ | CAZ | 176.0° | 174.4° |
| C | CA | N | H7 | 109.6° | 22.1° |
| C | CA | CB | H9 | 64.2° | 178.7° |
| C | CA | CB | H10 | 54.6° | 58.8° |
| CA | C | NAQ | H18 | 4.0° | 5.6° |
| N | CA | C | NAQ | 150.2° | 158.0° |
| CA | N | CAU | H7 | 180.0° | 179.9° |
| CA | N | CAU | NAP | 177.1° | 175.0° |
| CA | N | CAU | SAG | 3.0° | 5.0° |
| N | CA | CB | H9 | 176.0° | 58.7° |
| N | CA | CB | H10 | 65.2° | 61.2° |
| CAI | CAK | CAV | CAL | 0.6° | 0.0° |
| CAI | CAK | CAV | H1 | 180.0° | 179.7° |
| CAI | CAK | CAV | NAP | 178.7° | 179.7° |
| CAK | CAI | CAH | H3 | 179.6° | 180.0° |
| CAL | CAV | CAK | NAP | 179.3° | 179.7° |
| CAL | CAV | NAP | CAU | 61.2° | 136.5° |
| CAL | CAV | CAK | H1 | 179.4° | 179.7° |
| CAV | CAL | CAJ | H4 | 179.4° | 180.0° |
| CAL | CAV | NAP | H6 | 118.8° | 43.5° |
| C | NAQ | CAZ | H18 | 180.0° | 180.0° |
| C | NAQ | CAZ | CAN | 118.5° | 155.0° |
| NAQ | C | CA | H8 | 26.0° | 38.0° |
| C | NAQ | CAZ | H19 | 0.1° | 35.0° |
| N | CAU | NAP | CAV | 10.7° | 174.1° |
| N | CAU | NAP | SAG | 179.9° | 180.0° |
| N | CAU | NAP | H6 | 169.3° | 5.9° |
| CAU | N | CA | H8 | 53.3° | 38.0° |
| NAQ | CAZ | CAN | H19 | 119.3° | 119.9° |
| NAQ | CAZ | CAN | CAM | 72.2° | 65.0° |
| NAQ | CAZ | CAX | H20 | 68.9° | 55.0° |
| NAQ | CAZ | CAX | H21 | 51.7° | 175.0° |
| NAQ | CAZ | CAN | H23 | 47.9° | 55.0° |
| NAQ | CAZ | CAN | H24 | 167.8° | 175.0° |
| CAZ | CAN | CAM | H23 | 120.1° | 120.0° |
| CAZ | CAN | CAM | H24 | 120.1° | 120.0° |
| CAZ | CAN | CAM | OAE | 142.4° | 180.0° |
| CAN | CAZ | NAQ | H18 | 61.5° | 25.0° |
| CAN | CAZ | CAX | H20 | 165.5° | 175.0° |
| CAN | CAZ | CAX | H21 | 73.9° | 65.0° |
| CAZ | CAN | H23 | H24 | 119.8° | 120.0° |
| CAZ | CAN | CAM | H25 | 22.2° | 59.9° |
| CAZ | CAN | CAM | H26 | 97.3° | 60.0° |
| CAK | CAV | NAP | CAU | 118.1° | 43.8° |
| CAV | CAK | CAI | H2 | 179.5° | 179.9° |
| CAK | CAV | CAL | H5 | 179.3° | 180.0° |
| CAK | CAV | NAP | H6 | 61.9° | 136.2° |
| CAV | NAP | CAU | H6 | 180.0° | 180.0° |
| CAV | NAP | CAU | SAG | 169.2° | 5.9° |
| NAP | CAV | CAK | H1 | 1.3° | 0.0° |
| NAP | CAV | CAL | H5 | 1.4° | 0.2° |
| NAP | CAU | N | H7 | 2.9° | 5.0° |
| SAG | CAU | NAP | H6 | 10.8° | 174.1° |
| SAG | CAU | N | H7 | 177.0° | 175.0° |
| CAN | CAM | OAE | H25 | 120.3° | 120.0° |
| CAN | CAM | OAE | H26 | 120.2° | 120.0° |
| CAM | CAN | CAZ | H19 | 47.1° | 54.9° |
| CAM | CAN | H23 | H24 | 119.8° | 119.9° |
| CAN | CAM | H25 | H26 | 119.2° | 119.9° |
| CAN | CAM | OAE | H27 | 180.0° | 180.0° |
| OAE | CAM | CAN | H23 | 97.5° | 60.0° |
| OAE | CAM | CAN | H24 | 22.4° | 60.0° |
| OAE | CAM | H25 | H26 | 119.2° | 120.0° |
| H1 | CAK | CAI | H2 | 0.5° | 0.2° |
| H2 | CAI | CAH | H3 | 0.4° | 0.0° |
| H3 | CAH | CAJ | H4 | 0.5° | 0.0° |
| H4 | CAJ | CAL | H5 | 0.6° | 0.0° |
| H7 | N | CA | H8 | 126.8° | 142.0° |
| H8 | CA | CB | H9 | 53.3° | 61.4° |
| H8 | CA | CB | H10 | 172.1° | 178.7° |
| H9 | CB | CG | H11 | 171.7° | 175.6° |
| H10 | CB | CG | H11 | 52.9° | 64.4° |
| H11 | CG | CD2 | H12 | 62.2° | 56.0° |
| H11 | CG | CD2 | H13 | 57.8° | 64.1° |
| H11 | CG | CD2 | H14 | 177.8° | 175.9° |
| H11 | CG | CD1 | H15 | 63.0° | 60.0° |
| H11 | CG | CD1 | H16 | 57.0° | 59.9° |
| H11 | CG | CD1 | H17 | 177.0° | 179.9° |
| H12 | CD2 | H13 | H14 | 120.0° | 120.0° |
| H15 | CD1 | H16 | H17 | 120.0° | 119.9° |
| H18 | NAQ | CAZ | H19 | 179.9° | 145.0° |
| H19 | CAZ | CAX | H20 | 46.2° | 65.0° |
| H19 | CAZ | CAX | H21 | 166.8° | 55.0° |
| H19 | CAZ | CAN | H23 | 167.2° | 175.0° |
| H19 | CAZ | CAN | H24 | 72.9° | 65.0° |
| H20 | CAX | OAF | H22 | 60.3° | 60.1° |
| H21 | CAX | OAF | H22 | 60.3° | 60.0° |
| H23 | CAN | CAM | H25 | 142.2° | 180.0° |
| H23 | CAN | CAM | H26 | 22.7° | 60.0° |
| H24 | CAN | CAM | H25 | 97.9° | 60.1° |
| H24 | CAN | CAM | H26 | 142.6° | 180.0° |
| H25 | CAM | OAE | H27 | 59.7° | 60.0° |
| H26 | CAM | OAE | H27 | 59.8° | 60.0° |
