MFD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.01Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| C1 | C | sing | 1.51Å | 1.54Å | |
| C1 | CA | sing | 1.53Å | 1.55Å | |
| C1 | CM2 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.39Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | C4 | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | doub | 1.33Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | H7 | sing | 1.08Å | 1.09Å | |
| C6 | C5 | sing | 1.47Å | 1.50Å | |
| C6 | CM6 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.33Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.09Å | |
| C4 | H4 | sing | 1.08Å | 1.09Å | |
| C' | C9 | sing | 1.53Å | 1.57Å | |
| C' | C1' | sing | 1.51Å | 1.53Å | |
| C' | H'1 | sing | 1.09Å | 1.09Å | |
| C' | H'2 | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| C9 | O9 | sing | 1.43Å | 1.44Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | CM8 | sing | 1.53Å | 1.55Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C4' | C3' | doub | 1.38Å | 1.40Å | Aromatic |
| C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.09Å | |
| C3' | C2' | sing | 1.38Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.09Å | |
| C2' | C1' | doub | 1.38Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.09Å | |
| C1' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
| C6' | C5' | doub | 1.38Å | 1.40Å | Aromatic |
| C6' | H6' | sing | 1.08Å | 1.09Å | |
| C5' | H5' | sing | 1.08Å | 1.09Å | |
| O9 | CM9 | sing | 1.43Å | 1.42Å | |
| CM9 | HM91 | sing | 1.09Å | 1.10Å | |
| CM9 | HM92 | sing | 1.09Å | 1.10Å | |
| CM9 | HM93 | sing | 1.09Å | 1.10Å | |
| CM8 | HM81 | sing | 1.09Å | 1.10Å | |
| CM8 | HM82 | sing | 1.09Å | 1.10Å | |
| CM8 | HM83 | sing | 1.09Å | 1.10Å | |
| CM6 | HM61 | sing | 1.09Å | 1.10Å | |
| CM6 | HM62 | sing | 1.09Å | 1.10Å | |
| CM6 | HM63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 116.0° | 106.8° |
| CA | N | H2 | 111.5° | 106.7° |
| N | CA | C1 | 111.3° | 109.5° |
| N | CA | C4 | 112.0° | 109.5° |
| N | CA | HA | 106.6° | 109.4° |
| H | N | H2 | 12.2° | 106.6° |
| C | C1 | CA | 109.8° | 109.6° |
| C | C1 | CM2 | 107.8° | 109.4° |
| C | C1 | H1 | 109.4° | 109.4° |
| C1 | C | O | 120.5° | 119.9° |
| C1 | C | OXT | 116.1° | 120.1° |
| CA | C1 | CM2 | 114.1° | 109.5° |
| CA | C1 | H1 | 108.4° | 109.5° |
| C1 | CA | C4 | 110.6° | 109.5° |
| C1 | CA | HA | 107.0° | 109.4° |
| CM2 | C1 | H1 | 107.2° | 109.4° |
| C1 | CM2 | HM21 | 110.5° | 109.4° |
| C1 | CM2 | HM22 | 110.5° | 109.5° |
| C1 | CM2 | HM23 | 111.4° | 109.5° |
| O | C | OXT | 123.4° | 120.0° |
| C | OXT | HXT | 116.0° | 120.1° |
| C4 | CA | HA | 109.1° | 109.5° |
| CA | C4 | C5 | 126.8° | 120.1° |
| CA | C4 | H4 | 114.0° | 119.9° |
| HM21 | CM2 | HM22 | 107.9° | 109.5° |
| HM21 | CM2 | HM23 | 108.1° | 109.5° |
| HM22 | CM2 | HM23 | 108.3° | 109.5° |
| C6 | C7 | C8 | 129.8° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C7 | C6 | C5 | 115.5° | 120.1° |
| C7 | C6 | CM6 | 120.2° | 120.0° |
| C8 | C7 | H7 | 110.0° | 120.0° |
| C7 | C8 | C9 | 106.9° | 109.5° |
| C7 | C8 | CM8 | 109.7° | 109.5° |
| C7 | C8 | H8 | 111.0° | 109.4° |
| C5 | C6 | CM6 | 124.3° | 119.9° |
| C6 | C5 | C4 | 122.4° | 120.1° |
| C6 | C5 | H5 | 121.4° | 120.0° |
| C6 | CM6 | HM61 | 112.6° | 109.4° |
| C6 | CM6 | HM62 | 110.3° | 109.5° |
| C6 | CM6 | HM63 | 110.8° | 109.5° |
| C4 | C5 | H5 | 116.2° | 119.9° |
| C5 | C4 | H4 | 119.2° | 120.0° |
| C9 | C' | C1' | 116.2° | 109.5° |
| C9 | C' | H'1 | 106.1° | 109.5° |
| C9 | C' | H'2 | 110.0° | 109.5° |
| C' | C9 | C8 | 110.5° | 109.5° |
| C' | C9 | O9 | 113.1° | 109.5° |
| C' | C9 | H9 | 108.6° | 109.5° |
| C1' | C' | H'1 | 107.3° | 109.5° |
| C1' | C' | H'2 | 110.3° | 109.5° |
| C' | C1' | C2' | 120.5° | 120.0° |
| C' | C1' | C6' | 121.8° | 120.0° |
| H'1 | C' | H'2 | 106.4° | 109.5° |
| C8 | C9 | O9 | 113.8° | 109.5° |
| C8 | C9 | H9 | 109.0° | 109.5° |
| C9 | C8 | CM8 | 116.2° | 109.5° |
| C9 | C8 | H8 | 105.3° | 109.5° |
| O9 | C9 | H9 | 101.4° | 109.4° |
| C9 | O9 | CM9 | 117.5° | 106.9° |
| CM8 | C8 | H8 | 107.8° | 109.5° |
| C8 | CM8 | HM81 | 110.8° | 109.5° |
| C8 | CM8 | HM82 | 111.9° | 109.5° |
| C8 | CM8 | HM83 | 111.7° | 109.5° |
| C3' | C4' | C5' | 119.2° | 120.0° |
| C3' | C4' | H4' | 120.4° | 120.0° |
| C4' | C3' | C2' | 120.0° | 120.0° |
| C4' | C3' | H3' | 120.0° | 120.0° |
| C5' | C4' | H4' | 120.4° | 120.0° |
| C4' | C5' | C6' | 120.1° | 120.0° |
| C4' | C5' | H5' | 120.0° | 120.0° |
| C2' | C3' | H3' | 120.0° | 120.0° |
| C3' | C2' | C1' | 121.5° | 120.0° |
| C3' | C2' | H2' | 118.9° | 120.0° |
| C1' | C2' | H2' | 119.6° | 120.0° |
| C2' | C1' | C6' | 117.7° | 120.0° |
| C1' | C6' | C5' | 121.5° | 120.0° |
| C1' | C6' | H6' | 119.6° | 120.0° |
| C5' | C6' | H6' | 118.9° | 120.0° |
| C6' | C5' | H5' | 119.9° | 120.0° |
| O9 | CM9 | HM91 | 112.8° | 109.5° |
| O9 | CM9 | HM92 | 105.9° | 109.4° |
| O9 | CM9 | HM93 | 112.7° | 109.4° |
| HM91 | CM9 | HM92 | 108.3° | 109.5° |
| HM91 | CM9 | HM93 | 108.7° | 109.5° |
| HM92 | CM9 | HM93 | 108.3° | 109.5° |
| HM81 | CM8 | HM82 | 107.0° | 109.5° |
| HM81 | CM8 | HM83 | 107.8° | 109.5° |
| HM82 | CM8 | HM83 | 107.6° | 109.5° |
| HM61 | CM6 | HM62 | 107.8° | 109.5° |
| HM61 | CM6 | HM63 | 107.2° | 109.4° |
| HM62 | CM6 | HM63 | 107.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 70.9° | 113.8° |
| N | CA | C1 | C | 47.7° | 60.0° |
| N | CA | C1 | C4 | 125.2° | 120.1° |
| N | CA | C1 | HA | 116.1° | 119.9° |
| N | CA | C1 | CM2 | 168.9° | 180.0° |
| N | CA | C1 | H1 | 71.8° | 60.1° |
| N | CA | C4 | HA | 117.8° | 119.9° |
| N | CA | C4 | C5 | 118.3° | 119.9° |
| N | CA | C4 | H4 | 61.0° | 60.1° |
| H | N | CA | C1 | 42.4° | 173.8° |
| H | N | CA | C4 | 82.0° | 53.7° |
| H | N | CA | HA | 158.8° | 66.3° |
| H2 | N | CA | C1 | 54.8° | 60.1° |
| H2 | N | CA | C4 | 69.6° | 60.0° |
| H2 | N | CA | HA | 171.1° | 180.0° |
| C | C1 | CA | CM2 | 121.2° | 120.0° |
| C | C1 | CA | H1 | 119.5° | 120.0° |
| C | C1 | CM2 | H1 | 117.7° | 119.9° |
| C1 | C | O | OXT | 178.3° | 179.9° |
| C1 | C | OXT | HXT | 180.0° | 180.0° |
| C | C1 | CA | C4 | 172.8° | 179.9° |
| C | C1 | CA | HA | 68.5° | 60.0° |
| C | C1 | CM2 | HM21 | 175.5° | 60.0° |
| C | C1 | CM2 | HM22 | 56.1° | 180.0° |
| C | C1 | CM2 | HM23 | 64.3° | 60.0° |
| CA | C1 | CM2 | H1 | 120.0° | 120.0° |
| CA | C1 | C | O | 54.9° | 0.0° |
| CA | C1 | C | OXT | 123.5° | 179.9° |
| C1 | CA | C4 | HA | 117.5° | 120.0° |
| CA | C1 | CM2 | HM21 | 62.2° | 60.1° |
| CA | C1 | CM2 | HM22 | 178.4° | 59.9° |
| CA | C1 | CM2 | HM23 | 58.0° | 180.0° |
| C1 | CA | C4 | C5 | 116.9° | 120.0° |
| C1 | CA | C4 | H4 | 63.8° | 60.0° |
| CM2 | C1 | C | O | 70.0° | 120.1° |
| CM2 | C1 | C | OXT | 111.6° | 60.0° |
| CM2 | C1 | CA | C4 | 66.0° | 59.9° |
| CM2 | C1 | CA | HA | 52.7° | 60.1° |
| C1 | CM2 | HM21 | HM22 | 120.9° | 120.0° |
| C1 | CM2 | HM21 | HM23 | 122.1° | 120.0° |
| C1 | CM2 | HM22 | HM23 | 122.2° | 120.0° |
| H1 | C1 | C | O | 173.8° | 120.0° |
| H1 | C1 | C | OXT | 4.6° | 59.9° |
| H1 | C1 | CA | C4 | 53.3° | 60.0° |
| H1 | C1 | CA | HA | 172.1° | 180.0° |
| H1 | C1 | CM2 | HM21 | 57.8° | 179.9° |
| H1 | C1 | CM2 | HM22 | 61.6° | 60.1° |
| H1 | C1 | CM2 | HM23 | 178.0° | 60.0° |
| O | C | OXT | HXT | 1.6° | 0.1° |
| CA | C4 | C5 | C6 | 179.2° | 180.0° |
| CA | C4 | C5 | H4 | 179.3° | 180.0° |
| CA | C4 | C5 | H5 | 0.9° | 0.0° |
| HA | CA | C4 | C5 | 0.6° | 0.0° |
| HA | CA | C4 | H4 | 178.7° | 180.0° |
| HM21 | CM2 | HM22 | HM23 | 116.8° | 120.0° |
| C6 | C7 | C8 | H7 | 175.1° | 179.9° |
| C7 | C6 | C5 | CM6 | 178.8° | 179.9° |
| C7 | C6 | C5 | C4 | 161.9° | 179.9° |
| C7 | C6 | C5 | H5 | 18.1° | 0.1° |
| C6 | C7 | C8 | C9 | 125.6° | 112.5° |
| C6 | C7 | C8 | CM8 | 107.7° | 127.5° |
| C6 | C7 | C8 | H8 | 11.3° | 7.5° |
| C7 | C6 | CM6 | HM61 | 164.1° | 4.8° |
| C7 | C6 | CM6 | HM62 | 75.4° | 124.8° |
| C7 | C6 | CM6 | HM63 | 44.1° | 115.1° |
| C8 | C7 | C6 | C5 | 179.2° | 174.7° |
| C8 | C7 | C6 | CM6 | 0.4° | 5.3° |
| C7 | C8 | C9 | C' | 59.2° | 173.2° |
| C7 | C8 | C9 | CM8 | 122.8° | 120.1° |
| C7 | C8 | C9 | H8 | 118.1° | 119.9° |
| C7 | C8 | C9 | O9 | 172.4° | 66.8° |
| C7 | C8 | C9 | H9 | 60.1° | 53.1° |
| C7 | C8 | CM8 | H8 | 121.0° | 119.9° |
| C7 | C8 | CM8 | HM81 | 58.9° | 60.0° |
| C7 | C8 | CM8 | HM82 | 178.1° | 180.0° |
| C7 | C8 | CM8 | HM83 | 61.2° | 59.9° |
| H7 | C7 | C6 | C5 | 6.2° | 5.4° |
| H7 | C7 | C6 | CM6 | 175.0° | 174.7° |
| H7 | C7 | C8 | C9 | 49.4° | 67.4° |
| H7 | C7 | C8 | CM8 | 77.3° | 52.6° |
| H7 | C7 | C8 | H8 | 163.8° | 172.6° |
| C6 | C5 | C4 | H5 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 1.5° | 0.0° |
| C5 | C6 | CM6 | HM61 | 14.6° | 175.3° |
| C5 | C6 | CM6 | HM62 | 105.9° | 55.3° |
| C5 | C6 | CM6 | HM63 | 134.6° | 64.8° |
| CM6 | C6 | C5 | C4 | 19.4° | 0.0° |
| CM6 | C6 | C5 | H5 | 160.7° | 180.0° |
| C6 | CM6 | HM61 | HM62 | 121.9° | 120.0° |
| C6 | CM6 | HM61 | HM63 | 122.2° | 119.9° |
| C6 | CM6 | HM62 | HM63 | 121.2° | 120.1° |
| H5 | C5 | C4 | H4 | 178.4° | 180.0° |
| C9 | C' | C1' | H'1 | 118.5° | 120.0° |
| C9 | C' | C1' | H'2 | 126.1° | 120.0° |
| C9 | C' | H'1 | H'2 | 117.1° | 120.0° |
| C' | C9 | C8 | O9 | 128.4° | 120.0° |
| C' | C9 | C8 | H9 | 119.2° | 120.1° |
| C' | C9 | O9 | H9 | 116.1° | 120.0° |
| C' | C9 | C8 | CM8 | 178.0° | 66.7° |
| C' | C9 | C8 | H8 | 58.9° | 53.3° |
| C9 | C' | C1' | C2' | 129.6° | 90.0° |
| C9 | C' | C1' | C6' | 53.8° | 90.3° |
| C' | C9 | O9 | CM9 | 62.3° | 119.1° |
| C1' | C' | H'1 | H'2 | 118.0° | 120.0° |
| C1' | C' | C9 | C8 | 84.4° | 180.0° |
| C1' | C' | C9 | O9 | 146.8° | 60.0° |
| C1' | C' | C9 | H9 | 35.1° | 60.0° |
| C' | C1' | C2' | C3' | 177.9° | 180.0° |
| C' | C1' | C2' | C6' | 176.7° | 179.7° |
| C' | C1' | C2' | H2' | 2.1° | 0.0° |
| C' | C1' | C6' | C5' | 178.1° | 179.8° |
| C' | C1' | C6' | H6' | 1.7° | 0.3° |
| H'1 | C' | C9 | C8 | 156.5° | 60.0° |
| H'1 | C' | C9 | O9 | 27.7° | 180.0° |
| H'1 | C' | C9 | H9 | 84.1° | 60.0° |
| H'1 | C' | C1' | C2' | 111.9° | 30.0° |
| H'1 | C' | C1' | C6' | 64.7° | 149.7° |
| H'2 | C' | C9 | C8 | 41.8° | 60.0° |
| H'2 | C' | C9 | O9 | 87.0° | 60.0° |
| H'2 | C' | C9 | H9 | 161.3° | 180.0° |
| H'2 | C' | C1' | C2' | 3.5° | 150.0° |
| H'2 | C' | C1' | C6' | 179.9° | 29.7° |
| C8 | C9 | O9 | H9 | 116.8° | 120.0° |
| C9 | C8 | CM8 | H8 | 117.7° | 120.0° |
| C8 | C9 | O9 | CM9 | 64.8° | 120.9° |
| C9 | C8 | CM8 | HM81 | 179.8° | 60.0° |
| C9 | C8 | CM8 | HM82 | 60.6° | 59.9° |
| C9 | C8 | CM8 | HM83 | 60.0° | 180.0° |
| O9 | C9 | C8 | CM8 | 49.6° | 53.2° |
| O9 | C9 | C8 | H8 | 69.5° | 173.2° |
| C9 | O9 | CM9 | HM91 | 63.4° | 175.5° |
| C9 | O9 | CM9 | HM92 | 178.3° | 64.5° |
| C9 | O9 | CM9 | HM93 | 60.1° | 55.5° |
| H9 | C9 | C8 | CM8 | 62.7° | 173.2° |
| H9 | C9 | C8 | H8 | 178.2° | 66.8° |
| H9 | C9 | O9 | CM9 | 178.4° | 1.0° |
| C8 | CM8 | HM81 | HM82 | 122.1° | 120.0° |
| C8 | CM8 | HM81 | HM83 | 122.4° | 120.0° |
| C8 | CM8 | HM82 | HM83 | 123.0° | 120.0° |
| H8 | C8 | CM8 | HM81 | 62.1° | 179.9° |
| H8 | C8 | CM8 | HM82 | 57.2° | 60.1° |
| H8 | C8 | CM8 | HM83 | 177.8° | 60.0° |
| C3' | C4' | C5' | H4' | 179.5° | 180.0° |
| C4' | C3' | C2' | H3' | 179.6° | 179.9° |
| C4' | C3' | C2' | C1' | 0.3° | 0.0° |
| C4' | C3' | C2' | H2' | 179.7° | 180.0° |
| C3' | C4' | C5' | C6' | 0.1° | 0.1° |
| C3' | C4' | C5' | H5' | 179.6° | 180.0° |
| C5' | C4' | C3' | C2' | 0.2° | 0.1° |
| C5' | C4' | C3' | H3' | 179.4° | 180.0° |
| C4' | C5' | C6' | C1' | 0.9° | 0.4° |
| C4' | C5' | C6' | H5' | 179.5° | 179.9° |
| C4' | C5' | C6' | H6' | 178.9° | 180.0° |
| H4' | C4' | C3' | C2' | 179.7° | 179.9° |
| H4' | C4' | C3' | H3' | 0.1° | 0.0° |
| H4' | C4' | C5' | C6' | 179.4° | 179.8° |
| H4' | C4' | C5' | H5' | 0.1° | 0.0° |
| C3' | C2' | C1' | H2' | 180.0° | 180.0° |
| C3' | C2' | C1' | C6' | 1.1° | 0.3° |
| H3' | C3' | C2' | C1' | 179.9° | 179.9° |
| H3' | C3' | C2' | H2' | 0.1° | 0.1° |
| C2' | C1' | C6' | C5' | 1.4° | 0.5° |
| C2' | C1' | C6' | H6' | 178.4° | 179.9° |
| H2' | C2' | C1' | C6' | 178.9° | 179.7° |
| C1' | C6' | C5' | H6' | 179.8° | 179.5° |
| C1' | C6' | C5' | H5' | 179.5° | 179.7° |
| H6' | C6' | C5' | H5' | 0.6° | 0.2° |
| O9 | CM9 | HM91 | HM92 | 116.8° | 120.0° |
| O9 | CM9 | HM91 | HM93 | 125.7° | 120.0° |
| O9 | CM9 | HM92 | HM93 | 121.1° | 119.9° |
| HM91 | CM9 | HM92 | HM93 | 117.7° | 120.1° |
| HM81 | CM8 | HM82 | HM83 | 115.6° | 120.0° |
| HM61 | CM6 | HM62 | HM63 | 115.4° | 120.0° |
