FDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CB | CAS | sing | 1.53Å | 1.55Å | |
| CAS | CAT | sing | 1.53Å | 1.51Å | |
| C | NAM | sing | 1.35Å | 1.35Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CAT | CAU | sing | 1.53Å | 1.51Å | |
| NAM | CAJ | sing | 1.40Å | 1.36Å | |
| CAU | NAV | sing | 1.46Å | 1.51Å | |
| NAV | CAW | sing | 1.35Å | 1.35Å | |
| CAJ | CAG | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAI | sing | 1.39Å | 1.38Å | Aromatic |
| CAW | CAX | sing | 1.51Å | 1.53Å | |
| CAW | OAY | doub | 1.21Å | 1.23Å | |
| CAG | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| CAF | OAA | sing | 1.35Å | 1.37Å | |
| CAF | CAE | doub | 1.41Å | 1.42Å | Aromatic |
| CAH | CAE | sing | 1.40Å | 1.37Å | Aromatic |
| OAA | CAB | sing | 1.34Å | 1.41Å | |
| CAE | CAD | sing | 1.46Å | 1.42Å | |
| CAB | OAK | doub | 1.22Å | 1.25Å | |
| CAB | CAC | sing | 1.41Å | 1.43Å | |
| CAD | CAC | doub | 1.36Å | 1.39Å | |
| CAD | CAL | sing | 1.51Å | 1.41Å | |
| CAL | H1 | sing | 1.09Å | 1.10Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| NAM | H8 | sing | 0.97Å | 1.00Å | |
| CA | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CAS | H15 | sing | 1.09Å | 1.10Å | |
| CAS | H16 | sing | 1.09Å | 1.10Å | |
| CAT | H17 | sing | 1.09Å | 1.10Å | |
| CAT | H18 | sing | 1.09Å | 1.10Å | |
| CAU | H19 | sing | 1.09Å | 1.10Å | |
| CAU | H20 | sing | 1.09Å | 1.10Å | |
| NAV | H21 | sing | 0.97Å | 1.00Å | |
| CAX | H22 | sing | 1.09Å | 1.10Å | |
| CAX | H23 | sing | 1.09Å | 1.10Å | |
| CAX | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 111.2° | 109.5° |
| N | CA | C | 109.2° | 109.5° |
| N | CA | H9 | 109.0° | 109.5° |
| CA | N | H10 | 109.5° | 111.0° |
| CA | N | H11 | 109.5° | 111.0° |
| CB | CA | C | 111.9° | 109.5° |
| CA | CB | CAS | 108.2° | 109.5° |
| CB | CA | H9 | 107.4° | 109.5° |
| CA | CB | H13 | 109.8° | 109.5° |
| CA | CB | H14 | 109.8° | 109.5° |
| CA | C | NAM | 116.4° | 120.0° |
| CA | C | O | 119.7° | 120.0° |
| C | CA | H9 | 107.9° | 109.4° |
| CB | CAS | CAT | 105.8° | 109.5° |
| CAS | CB | H13 | 109.8° | 109.5° |
| CAS | CB | H14 | 109.8° | 109.5° |
| CB | CAS | H15 | 110.4° | 109.4° |
| CB | CAS | H16 | 110.4° | 109.5° |
| CAS | CAT | CAU | 110.1° | 109.5° |
| CAT | CAS | H15 | 110.4° | 109.5° |
| CAT | CAS | H16 | 110.4° | 109.5° |
| CAS | CAT | H17 | 109.3° | 109.5° |
| CAS | CAT | H18 | 109.3° | 109.5° |
| NAM | C | O | 123.8° | 120.1° |
| C | NAM | CAJ | 118.8° | 119.9° |
| C | NAM | H8 | 120.6° | 120.0° |
| CAT | CAU | NAV | 110.1° | 109.5° |
| CAU | CAT | H17 | 109.3° | 109.5° |
| CAU | CAT | H18 | 109.3° | 109.5° |
| CAT | CAU | H19 | 109.3° | 109.4° |
| CAT | CAU | H20 | 109.3° | 109.5° |
| NAM | CAJ | CAG | 122.4° | 119.7° |
| NAM | CAJ | CAI | 121.9° | 119.8° |
| CAJ | NAM | H8 | 120.6° | 120.0° |
| CAU | NAV | CAW | 119.5° | 120.0° |
| NAV | CAU | H19 | 109.3° | 109.5° |
| NAV | CAU | H20 | 109.3° | 109.5° |
| CAU | NAV | H21 | 120.3° | 120.0° |
| NAV | CAW | CAX | 117.7° | 120.0° |
| NAV | CAW | OAY | 123.2° | 120.0° |
| CAW | NAV | H21 | 120.3° | 120.0° |
| CAG | CAJ | CAI | 115.7° | 120.5° |
| CAJ | CAG | CAF | 117.8° | 119.8° |
| CAJ | CAG | H5 | 121.1° | 120.1° |
| CAJ | CAI | CAH | 128.3° | 120.4° |
| CAJ | CAI | H7 | 115.9° | 119.8° |
| CAX | CAW | OAY | 119.0° | 120.0° |
| CAW | CAX | H22 | 109.5° | 109.5° |
| CAW | CAX | H23 | 109.5° | 109.5° |
| CAW | CAX | H24 | 109.5° | 109.5° |
| CAG | CAF | OAA | 117.0° | 120.8° |
| CAG | CAF | CAE | 125.1° | 119.4° |
| CAF | CAG | H5 | 121.1° | 120.1° |
| CAI | CAH | CAE | 115.9° | 119.8° |
| CAI | CAH | H6 | 122.1° | 120.1° |
| CAH | CAI | H7 | 115.9° | 119.8° |
| OAA | CAF | CAE | 117.9° | 119.8° |
| CAF | OAA | CAB | 120.1° | 121.5° |
| CAF | CAE | CAH | 117.1° | 120.1° |
| CAF | CAE | CAD | 123.6° | 118.9° |
| CAH | CAE | CAD | 119.2° | 121.0° |
| CAE | CAH | H6 | 122.1° | 120.1° |
| OAA | CAB | OAK | 119.8° | 119.2° |
| OAA | CAB | CAC | 121.6° | 121.7° |
| CAE | CAD | CAC | 117.5° | 118.2° |
| CAE | CAD | CAL | 122.0° | 120.9° |
| OAK | CAB | CAC | 118.6° | 119.1° |
| CAB | CAC | CAD | 119.2° | 119.8° |
| CAB | CAC | H4 | 120.4° | 120.1° |
| CAC | CAD | CAL | 120.4° | 120.9° |
| CAD | CAC | H4 | 120.4° | 120.1° |
| CAD | CAL | H1 | 109.5° | 109.5° |
| CAD | CAL | H2 | 109.4° | 109.4° |
| CAD | CAL | H3 | 109.5° | 109.5° |
| H1 | CAL | H2 | 109.5° | 109.5° |
| H1 | CAL | H3 | 109.5° | 109.5° |
| H2 | CAL | H3 | 109.5° | 109.4° |
| H10 | N | H11 | 109.5° | 111.0° |
| H13 | CB | H14 | 109.5° | 109.4° |
| H15 | CAS | H16 | 109.5° | 109.5° |
| H17 | CAT | H18 | 109.5° | 109.4° |
| H19 | CAU | H20 | 109.5° | 109.5° |
| H22 | CAX | H23 | 109.4° | 109.4° |
| H22 | CAX | H24 | 109.4° | 109.5° |
| H23 | CAX | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 122.5° | 120.0° |
| N | CA | CB | H9 | 119.2° | 120.0° |
| N | CA | C | H9 | 118.4° | 120.0° |
| N | CA | CB | CAS | 171.9° | 65.0° |
| N | CA | C | NAM | 127.5° | 160.0° |
| N | CA | C | O | 54.4° | 20.0° |
| CA | N | H10 | H11 | 120.0° | 124.0° |
| N | CA | CB | H13 | 52.1° | 55.0° |
| N | CA | CB | H14 | 68.3° | 175.0° |
| CB | CA | C | H9 | 118.0° | 120.0° |
| CA | CB | CAS | H13 | 119.8° | 120.0° |
| CA | CB | CAS | H14 | 119.8° | 120.0° |
| CA | CB | CAS | CAT | 173.7° | 180.0° |
| CB | CA | C | NAM | 108.9° | 80.0° |
| CB | CA | C | O | 69.2° | 100.0° |
| CB | CA | N | H10 | 180.0° | 176.0° |
| CB | CA | N | H11 | 60.0° | 59.9° |
| CA | CB | H13 | H14 | 120.6° | 120.0° |
| CA | CB | CAS | H15 | 66.9° | 60.0° |
| CA | CB | CAS | H16 | 54.3° | 60.0° |
| C | CA | CB | CAS | 65.6° | 175.0° |
| CA | C | NAM | O | 178.0° | 180.0° |
| CA | C | NAM | CAJ | 176.8° | 174.7° |
| CA | C | NAM | H8 | 3.1° | 5.2° |
| C | CA | N | H10 | 56.0° | 63.9° |
| C | CA | N | H11 | 64.0° | 60.1° |
| C | CA | CB | H13 | 174.6° | 65.0° |
| C | CA | CB | H14 | 54.2° | 55.0° |
| CB | CAS | CAT | H15 | 119.4° | 120.0° |
| CB | CAS | CAT | H16 | 119.4° | 120.0° |
| CB | CAS | CAT | CAU | 164.4° | 180.0° |
| CAS | CB | CA | H9 | 52.6° | 55.0° |
| CAS | CB | H13 | H14 | 120.6° | 120.0° |
| CB | CAS | H15 | H16 | 121.7° | 120.0° |
| CB | CAS | CAT | H17 | 75.5° | 60.0° |
| CB | CAS | CAT | H18 | 44.4° | 60.0° |
| CAS | CAT | CAU | H17 | 120.1° | 120.0° |
| CAS | CAT | CAU | H18 | 120.1° | 120.0° |
| CAS | CAT | CAU | NAV | 178.6° | 180.0° |
| CAT | CAS | CB | H13 | 53.9° | 60.0° |
| CAT | CAS | CB | H14 | 66.4° | 60.0° |
| CAT | CAS | H15 | H16 | 121.7° | 120.0° |
| CAS | CAT | H17 | H18 | 119.7° | 120.0° |
| CAS | CAT | CAU | H19 | 61.4° | 60.0° |
| CAS | CAT | CAU | H20 | 58.5° | 59.9° |
| C | NAM | CAJ | H8 | 180.0° | 179.9° |
| C | NAM | CAJ | CAG | 172.7° | 146.4° |
| C | NAM | CAJ | CAI | 8.2° | 33.7° |
| NAM | C | CA | H9 | 9.1° | 40.0° |
| O | C | NAM | CAJ | 1.2° | 5.3° |
| O | C | NAM | H8 | 178.9° | 174.8° |
| O | C | CA | H9 | 172.8° | 140.0° |
| CAT | CAU | NAV | H19 | 120.1° | 119.9° |
| CAT | CAU | NAV | H20 | 120.1° | 120.1° |
| CAT | CAU | NAV | CAW | 141.7° | 180.0° |
| CAU | CAT | CAS | H15 | 45.0° | 60.1° |
| CAU | CAT | CAS | H16 | 76.2° | 60.0° |
| CAU | CAT | H17 | H18 | 119.7° | 120.0° |
| CAT | CAU | H19 | H20 | 119.7° | 120.0° |
| CAT | CAU | NAV | H21 | 38.3° | 0.0° |
| NAM | CAJ | CAG | CAI | 179.1° | 180.0° |
| NAM | CAJ | CAG | CAF | 179.0° | 180.0° |
| NAM | CAJ | CAI | CAH | 179.2° | 179.7° |
| NAM | CAJ | CAG | H5 | 1.0° | 0.0° |
| NAM | CAJ | CAI | H7 | 0.8° | 0.0° |
| CAU | NAV | CAW | H21 | 180.0° | 180.0° |
| CAU | NAV | CAW | CAX | 177.1° | 180.0° |
| CAU | NAV | CAW | OAY | 2.0° | 0.1° |
| NAV | CAU | CAT | H17 | 58.5° | 60.0° |
| NAV | CAU | CAT | H18 | 61.4° | 60.0° |
| NAV | CAU | H19 | H20 | 119.7° | 120.0° |
| NAV | CAW | CAX | OAY | 179.1° | 179.9° |
| CAW | NAV | CAU | H19 | 98.2° | 60.1° |
| CAW | NAV | CAU | H20 | 21.7° | 59.9° |
| NAV | CAW | CAX | H22 | 179.2° | 90.0° |
| NAV | CAW | CAX | H23 | 59.2° | 150.0° |
| NAV | CAW | CAX | H24 | 60.9° | 30.1° |
| CAJ | CAG | CAF | H5 | 180.0° | 180.0° |
| CAG | CAJ | CAI | CAH | 0.1° | 0.2° |
| CAJ | CAG | CAF | OAA | 178.6° | 180.0° |
| CAJ | CAG | CAF | CAE | 0.1° | 0.3° |
| CAG | CAJ | CAI | H7 | 179.9° | 180.0° |
| CAG | CAJ | NAM | H8 | 7.3° | 33.7° |
| CAI | CAJ | CAG | CAF | 0.1° | 0.0° |
| CAJ | CAI | CAH | H7 | 180.0° | 179.8° |
| CAJ | CAI | CAH | CAE | 0.6° | 0.3° |
| CAI | CAJ | CAG | H5 | 179.9° | 180.0° |
| CAJ | CAI | CAH | H6 | 179.4° | 179.7° |
| CAI | CAJ | NAM | H8 | 171.7° | 146.3° |
| CAX | CAW | NAV | H21 | 2.8° | 0.0° |
| CAW | CAX | H22 | H23 | 120.0° | 120.0° |
| CAW | CAX | H22 | H24 | 120.0° | 120.0° |
| CAW | CAX | H23 | H24 | 120.0° | 120.0° |
| OAY | CAW | NAV | H21 | 178.1° | 180.0° |
| OAY | CAW | CAX | H22 | 0.0° | 90.0° |
| OAY | CAW | CAX | H23 | 120.0° | 30.0° |
| OAY | CAW | CAX | H24 | 120.0° | 150.0° |
| CAG | CAF | OAA | CAE | 178.8° | 179.8° |
| CAG | CAF | CAE | CAH | 0.6° | 0.2° |
| CAG | CAF | OAA | CAB | 179.8° | 180.0° |
| CAG | CAF | CAE | CAD | 179.9° | 179.8° |
| CAI | CAH | CAE | CAF | 0.7° | 0.1° |
| CAI | CAH | CAE | H6 | 180.0° | 180.0° |
| CAI | CAH | CAE | CAD | 179.9° | 179.5° |
| OAA | CAF | CAE | CAH | 178.1° | 180.0° |
| OAA | CAF | CAE | CAD | 1.2° | 0.5° |
| CAF | OAA | CAB | OAK | 178.6° | 180.0° |
| CAF | OAA | CAB | CAC | 0.4° | 0.0° |
| OAA | CAF | CAG | H5 | 1.5° | 0.0° |
| CAF | CAE | CAH | CAD | 179.3° | 179.5° |
| CAE | CAF | OAA | CAB | 1.4° | 0.2° |
| CAF | CAE | CAD | CAC | 0.0° | 0.5° |
| CAF | CAE | CAD | CAL | 179.6° | 179.9° |
| CAE | CAF | CAG | H5 | 179.8° | 179.8° |
| CAF | CAE | CAH | H6 | 179.3° | 179.9° |
| CAH | CAE | CAD | CAC | 179.3° | 180.0° |
| CAH | CAE | CAD | CAL | 0.3° | 0.3° |
| CAE | CAH | CAI | H7 | 179.4° | 180.0° |
| OAA | CAB | OAK | CAC | 179.1° | 180.0° |
| OAA | CAB | CAC | CAD | 0.8° | 0.0° |
| OAA | CAB | CAC | H4 | 179.2° | 180.0° |
| CAE | CAD | CAC | CAB | 1.0° | 0.3° |
| CAE | CAD | CAC | CAL | 179.6° | 179.6° |
| CAE | CAD | CAL | H1 | 180.0° | 179.7° |
| CAE | CAD | CAL | H2 | 60.0° | 60.3° |
| CAE | CAD | CAL | H3 | 60.0° | 59.7° |
| CAE | CAD | CAC | H4 | 179.0° | 179.8° |
| CAD | CAE | CAH | H6 | 0.1° | 0.5° |
| OAK | CAB | CAC | CAD | 179.9° | 179.9° |
| OAK | CAB | CAC | H4 | 0.1° | 0.0° |
| CAB | CAC | CAD | H4 | 180.0° | 179.9° |
| CAB | CAC | CAD | CAL | 178.6° | 179.9° |
| CAC | CAD | CAL | H1 | 0.5° | 0.1° |
| CAC | CAD | CAL | H2 | 120.5° | 120.1° |
| CAC | CAD | CAL | H3 | 119.5° | 120.0° |
| CAD | CAL | H1 | H2 | 120.0° | 119.9° |
| CAD | CAL | H1 | H3 | 120.0° | 120.1° |
| CAD | CAL | H2 | H3 | 120.0° | 120.0° |
| CAL | CAD | CAC | H4 | 1.4° | 0.1° |
| H1 | CAL | H2 | H3 | 120.0° | 120.0° |
| H6 | CAH | CAI | H7 | 0.5° | 0.1° |
| H9 | CA | N | H10 | 61.7° | 56.0° |
| H9 | CA | N | H11 | 178.2° | 180.0° |
| H9 | CA | CB | H13 | 67.1° | 175.1° |
| H9 | CA | CB | H14 | 172.5° | 65.0° |
| H13 | CB | CAS | H15 | 173.3° | 180.0° |
| H13 | CB | CAS | H16 | 65.5° | 60.0° |
| H14 | CB | CAS | H15 | 53.0° | 60.0° |
| H14 | CB | CAS | H16 | 174.2° | 180.0° |
| H15 | CAS | CAT | H17 | 165.1° | 179.9° |
| H15 | CAS | CAT | H18 | 75.0° | 60.0° |
| H16 | CAS | CAT | H17 | 43.9° | 60.0° |
| H16 | CAS | CAT | H18 | 163.8° | 180.0° |
| H17 | CAT | CAU | H19 | 178.5° | 180.0° |
| H17 | CAT | CAU | H20 | 61.6° | 60.1° |
| H18 | CAT | CAU | H19 | 58.7° | 60.0° |
| H18 | CAT | CAU | H20 | 178.6° | 180.0° |
| H19 | CAU | NAV | H21 | 81.8° | 120.0° |
| H20 | CAU | NAV | H21 | 158.3° | 120.0° |
| H22 | CAX | H23 | H24 | 120.0° | 120.0° |
