MT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | H1 | sing | 1.02Å | 0.86Å | |
| N1 | C8A | doub | 1.35Å | 1.44Å | Aromatic |
| N1 | C2 | sing | 1.34Å | 1.33Å | Aromatic |
| C2 | NA2 | sing | 1.41Å | 1.26Å | |
| C2 | N3 | doub | 1.34Å | 1.35Å | Aromatic |
| NA2 | HA21 | sing | 1.00Å | 1.00Å | |
| NA2 | HA22 | sing | 1.00Å | 1.00Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | Aromatic |
| C4 | C4A | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | NA4 | sing | 1.42Å | 1.32Å | |
| NA4 | HA41 | sing | 1.00Å | 1.00Å | |
| NA4 | HA42 | sing | 0.99Å | 1.00Å | |
| C4A | C8A | sing | 1.41Å | 1.29Å | Aromatic |
| C4A | N5 | sing | 1.35Å | 1.34Å | Aromatic |
| N5 | C6 | doub | 1.34Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.34Å | Aromatic |
| C6 | C9 | sing | 1.50Å | 1.53Å | |
| C7 | N8 | doub | 1.35Å | 1.30Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N8 | C8A | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | N10 | sing | 1.45Å | 1.51Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N10 | C14 | sing | 1.41Å | 1.40Å | |
| N10 | CM | sing | 1.45Å | 1.43Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| C11 | C | sing | 1.49Å | 1.46Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.32Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C | O | doub | 1.23Å | 1.24Å | |
| C | N | sing | 1.38Å | 1.32Å | |
| N | CA | sing | 1.46Å | 1.49Å | |
| N | H | sing | 1.01Å | 0.86Å | |
| CA | CB | sing | 1.54Å | 1.52Å | |
| CA | CT | sing | 1.52Å | 1.50Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CT | O2 | doub | 1.22Å | 1.23Å | |
| CT | O1 | sing | 1.36Å | 1.28Å | |
| O1 | HO1 | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.61Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.58Å | |
| CG | HG1 | sing | 1.10Å | 1.10Å | |
| CG | HG2 | sing | 1.10Å | 1.10Å | |
| CD | OE1 | doub | 1.23Å | 1.31Å | |
| CD | OE2 | sing | 1.36Å | 1.29Å | |
| OE2 | HOE2 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | N1 | C8A | 119.9° | 119.1° |
| H1 | N1 | C2 | 119.9° | 119.5° |
| C8A | N1 | C2 | 120.2° | 121.5° |
| N1 | C8A | C4A | 122.2° | 117.2° |
| N1 | C8A | N8 | 116.4° | 122.5° |
| N1 | C2 | NA2 | 123.2° | 115.5° |
| N1 | C2 | N3 | 115.3° | 125.0° |
| NA2 | C2 | N3 | 121.5° | 119.5° |
| C2 | NA2 | HA21 | 112.4° | 119.4° |
| C2 | NA2 | HA22 | 123.8° | 119.4° |
| C2 | N3 | C4 | 128.8° | 113.9° |
| HA21 | NA2 | HA22 | 123.8° | 120.9° |
| N3 | C4 | C4A | 113.0° | 125.2° |
| N3 | C4 | NA4 | 125.1° | 117.2° |
| C4A | C4 | NA4 | 121.8° | 117.6° |
| C4 | C4A | C8A | 120.5° | 117.1° |
| C4 | C4A | N5 | 117.6° | 121.7° |
| C4 | NA4 | HA41 | 109.5° | 118.7° |
| C4 | NA4 | HA42 | 109.4° | 118.7° |
| HA41 | NA4 | HA42 | 109.5° | 122.3° |
| C8A | C4A | N5 | 121.9° | 121.2° |
| C4A | C8A | N8 | 121.4° | 120.3° |
| C4A | N5 | C6 | 118.2° | 116.9° |
| N5 | C6 | C7 | 118.0° | 122.8° |
| N5 | C6 | C9 | 114.6° | 117.1° |
| C7 | C6 | C9 | 127.3° | 120.1° |
| C6 | C7 | N8 | 124.6° | 121.2° |
| C6 | C7 | H7 | 117.7° | 123.0° |
| C6 | C9 | N10 | 107.7° | 112.0° |
| C6 | C9 | H91 | 110.1° | 110.6° |
| C6 | C9 | H92 | 110.5° | 111.0° |
| N8 | C7 | H7 | 117.7° | 115.8° |
| C7 | N8 | C8A | 115.7° | 117.6° |
| N10 | C9 | H91 | 110.1° | 107.9° |
| N10 | C9 | H92 | 110.4° | 107.8° |
| C9 | N10 | C14 | 123.1° | 120.4° |
| C9 | N10 | CM | 113.9° | 119.2° |
| H91 | C9 | H92 | 108.1° | 107.3° |
| C14 | N10 | CM | 123.0° | 120.4° |
| N10 | C14 | C13 | 116.6° | 120.0° |
| N10 | C14 | C15 | 124.6° | 120.0° |
| N10 | CM | HM1 | 109.5° | 110.1° |
| N10 | CM | HM2 | 109.4° | 110.3° |
| N10 | CM | HM3 | 109.4° | 110.2° |
| HM1 | CM | HM2 | 109.5° | 108.7° |
| HM1 | CM | HM3 | 109.4° | 108.8° |
| HM2 | CM | HM3 | 109.5° | 108.7° |
| C | C11 | C12 | 122.1° | 118.8° |
| C | C11 | C16 | 118.4° | 118.9° |
| C11 | C | O | 119.6° | 119.3° |
| C11 | C | N | 121.8° | 115.3° |
| C12 | C11 | C16 | 119.5° | 122.3° |
| C11 | C12 | C13 | 119.7° | 118.9° |
| C11 | C12 | H12 | 120.1° | 121.7° |
| C11 | C16 | C15 | 120.0° | 118.8° |
| C11 | C16 | H16 | 120.0° | 121.7° |
| C13 | C12 | H12 | 120.2° | 119.4° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H13 | 119.9° | 119.5° |
| C14 | C13 | H13 | 119.8° | 120.5° |
| C13 | C14 | C15 | 118.9° | 120.0° |
| C14 | C15 | C16 | 121.6° | 120.0° |
| C14 | C15 | H15 | 119.2° | 120.6° |
| C16 | C15 | H15 | 119.2° | 119.4° |
| C15 | C16 | H16 | 120.0° | 119.4° |
| O | C | N | 118.6° | 125.4° |
| C | N | CA | 124.7° | 121.8° |
| C | N | H | 117.7° | 121.7° |
| CA | N | H | 117.6° | 116.3° |
| N | CA | CB | 110.7° | 112.2° |
| N | CA | CT | 104.4° | 108.1° |
| N | CA | HA | 110.1° | 107.2° |
| CB | CA | CT | 103.4° | 112.2° |
| CB | CA | HA | 111.1° | 109.2° |
| CA | CB | CG | 115.6° | 116.2° |
| CA | CB | HB1 | 107.5° | 108.9° |
| CA | CB | HB2 | 106.0° | 108.3° |
| CT | CA | HA | 116.7° | 107.8° |
| CA | CT | O2 | 117.9° | 125.4° |
| CA | CT | O1 | 115.7° | 112.0° |
| O2 | CT | O1 | 126.3° | 122.6° |
| CT | O1 | HO1 | 109.5° | 115.3° |
| CG | CB | HB1 | 107.5° | 109.7° |
| CG | CB | HB2 | 106.1° | 107.2° |
| CB | CG | CD | 114.1° | 113.9° |
| CB | CG | HG1 | 108.0° | 111.3° |
| CB | CG | HG2 | 106.9° | 109.9° |
| HB1 | CB | HB2 | 114.4° | 105.9° |
| CD | CG | HG1 | 108.0° | 108.4° |
| CD | CG | HG2 | 106.9° | 107.3° |
| CG | CD | OE1 | 112.3° | 123.9° |
| CG | CD | OE2 | 121.0° | 112.8° |
| HG1 | CG | HG2 | 113.2° | 105.7° |
| OE1 | CD | OE2 | 126.7° | 123.3° |
| CD | OE2 | HOE2 | 109.5° | 115.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | N1 | C8A | C2 | 179.9° | 180.0° |
| H1 | N1 | C2 | NA2 | 3.8° | 0.0° |
| H1 | N1 | C2 | N3 | 177.2° | 180.0° |
| H1 | N1 | C8A | C4A | 178.7° | 180.0° |
| H1 | N1 | C8A | N8 | 0.1° | 0.0° |
| C8A | N1 | C2 | NA2 | 176.2° | 180.0° |
| C8A | N1 | C2 | N3 | 2.8° | 0.0° |
| N1 | C8A | C4A | C4 | 0.0° | 0.1° |
| N1 | C8A | C4A | N8 | 178.5° | 180.0° |
| N1 | C8A | C4A | N5 | 177.7° | 180.0° |
| N1 | C8A | N8 | C7 | 179.3° | 180.0° |
| N1 | C2 | NA2 | N3 | 179.0° | 179.9° |
| N1 | C2 | NA2 | HA21 | 180.0° | 140.0° |
| N1 | C2 | NA2 | HA22 | 0.0° | 46.2° |
| N1 | C2 | N3 | C4 | 3.5° | 0.0° |
| C2 | N1 | C8A | C4A | 1.4° | 0.0° |
| C2 | N1 | C8A | N8 | 179.9° | 180.0° |
| C2 | NA2 | HA21 | HA22 | 180.0° | 173.7° |
| NA2 | C2 | N3 | C4 | 175.6° | 180.0° |
| N3 | C2 | NA2 | HA21 | 1.0° | 40.0° |
| N3 | C2 | NA2 | HA22 | 179.0° | 133.8° |
| C2 | N3 | C4 | C4A | 2.1° | 0.0° |
| C2 | N3 | C4 | NA4 | 179.5° | 180.0° |
| N3 | C4 | C4A | NA4 | 178.5° | 180.0° |
| N3 | C4 | NA4 | HA41 | 59.4° | 37.7° |
| N3 | C4 | NA4 | HA42 | 179.4° | 148.6° |
| N3 | C4 | C4A | C8A | 0.3° | 0.1° |
| N3 | C4 | C4A | N5 | 178.0° | 180.0° |
| C4A | C4 | NA4 | HA41 | 118.8° | 142.3° |
| C4A | C4 | NA4 | HA42 | 1.2° | 31.4° |
| C4 | C4A | C8A | N5 | 177.7° | 179.9° |
| C4 | C4A | N5 | C6 | 179.7° | 180.0° |
| C4 | C4A | C8A | N8 | 178.5° | 180.0° |
| C4 | NA4 | HA41 | HA42 | 120.0° | 173.4° |
| NA4 | C4 | C4A | C8A | 178.7° | 180.0° |
| NA4 | C4 | C4A | N5 | 3.5° | 0.1° |
| C8A | C4A | N5 | C6 | 2.6° | 0.1° |
| C4A | C8A | N8 | C7 | 2.2° | 0.0° |
| C4A | N5 | C6 | C7 | 0.2° | 0.1° |
| C4A | N5 | C6 | C9 | 179.6° | 179.9° |
| N5 | C4A | C8A | N8 | 3.9° | 0.1° |
| N5 | C6 | C7 | C9 | 179.4° | 180.0° |
| N5 | C6 | C7 | N8 | 1.8° | 0.0° |
| N5 | C6 | C7 | H7 | 178.2° | 180.0° |
| N5 | C6 | C9 | N10 | 158.6° | 45.0° |
| N5 | C6 | C9 | H91 | 81.4° | 165.4° |
| N5 | C6 | C9 | H92 | 37.9° | 75.6° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | C8A | 0.7° | 0.0° |
| C7 | C6 | C9 | N10 | 22.0° | 135.0° |
| C7 | C6 | C9 | H91 | 98.0° | 14.6° |
| C7 | C6 | C9 | H92 | 142.7° | 104.4° |
| C9 | C6 | C7 | N8 | 178.8° | 179.9° |
| C9 | C6 | C7 | H7 | 1.2° | 0.1° |
| C6 | C9 | N10 | H91 | 120.0° | 121.9° |
| C6 | C9 | N10 | H92 | 120.7° | 122.5° |
| C6 | C9 | H91 | H92 | 120.8° | 121.3° |
| C6 | C9 | N10 | C14 | 60.8° | 61.9° |
| C6 | C9 | N10 | CM | 119.2° | 118.7° |
| H7 | C7 | N8 | C8A | 179.3° | 180.0° |
| N10 | C9 | H91 | H92 | 120.7° | 116.0° |
| C9 | N10 | C14 | CM | 180.0° | 179.4° |
| C9 | N10 | CM | HM1 | 158.1° | 46.4° |
| C9 | N10 | CM | HM2 | 81.9° | 166.4° |
| C9 | N10 | CM | HM3 | 38.2° | 73.6° |
| C9 | N10 | C14 | C13 | 177.8° | 160.7° |
| C9 | N10 | C14 | C15 | 3.0° | 19.5° |
| H91 | C9 | N10 | C14 | 179.2° | 60.0° |
| H91 | C9 | N10 | CM | 0.8° | 119.4° |
| H92 | C9 | N10 | C14 | 59.9° | 175.6° |
| H92 | C9 | N10 | CM | 120.1° | 3.8° |
| C14 | N10 | CM | HM1 | 21.9° | 133.0° |
| C14 | N10 | CM | HM2 | 98.1° | 13.1° |
| C14 | N10 | CM | HM3 | 141.8° | 106.9° |
| N10 | C14 | C13 | C12 | 179.9° | 180.0° |
| N10 | C14 | C13 | C15 | 179.2° | 179.9° |
| N10 | C14 | C13 | H13 | 0.1° | 0.1° |
| N10 | C14 | C15 | C16 | 178.6° | 179.9° |
| N10 | C14 | C15 | H15 | 1.4° | 0.1° |
| N10 | CM | HM1 | HM2 | 120.0° | 120.9° |
| N10 | CM | HM1 | HM3 | 120.0° | 120.9° |
| N10 | CM | HM2 | HM3 | 120.0° | 120.9° |
| CM | N10 | C14 | C13 | 2.2° | 19.9° |
| CM | N10 | C14 | C15 | 177.0° | 160.0° |
| HM1 | CM | HM2 | HM3 | 120.0° | 118.2° |
| C | C11 | C12 | C16 | 179.3° | 179.9° |
| C | C11 | C12 | C13 | 178.5° | 180.0° |
| C | C11 | C12 | H12 | 1.5° | 0.1° |
| C | C11 | C16 | C15 | 179.9° | 179.9° |
| C | C11 | C16 | H16 | 0.1° | 0.1° |
| C11 | C | O | N | 177.9° | 178.9° |
| C11 | C | N | CA | 176.5° | 178.9° |
| C11 | C | N | H | 3.5° | 3.2° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.3° | 0.1° |
| C11 | C12 | C13 | H13 | 178.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.8° | 0.0° |
| C12 | C11 | C16 | H16 | 179.2° | 180.0° |
| C12 | C11 | C | O | 6.7° | 26.0° |
| C12 | C11 | C | N | 171.1° | 153.0° |
| C16 | C11 | C12 | C13 | 2.2° | 0.1° |
| C16 | C11 | C12 | H12 | 177.8° | 179.9° |
| C11 | C16 | C15 | C14 | 1.5° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | H15 | 178.6° | 179.9° |
| C16 | C11 | C | O | 172.6° | 154.1° |
| C16 | C11 | C | N | 9.6° | 26.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.9° | 0.1° |
| H12 | C12 | C13 | C14 | 178.6° | 180.0° |
| H12 | C12 | C13 | H13 | 1.4° | 0.1° |
| C13 | C14 | C15 | C16 | 2.3° | 0.0° |
| C13 | C14 | C15 | H15 | 177.7° | 180.0° |
| H13 | C13 | C14 | C15 | 179.1° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 178.5° | 180.0° |
| H15 | C15 | C16 | H16 | 1.4° | 0.0° |
| O | C | N | CA | 5.6° | 0.1° |
| O | C | N | H | 174.4° | 175.7° |
| C | N | CA | H | 179.9° | 175.9° |
| C | N | CA | CB | 104.3° | 89.9° |
| C | N | CA | CT | 145.0° | 145.9° |
| C | N | CA | HA | 18.9° | 30.0° |
| N | CA | CB | CT | 111.3° | 121.9° |
| N | CA | CB | HA | 122.7° | 118.7° |
| N | CA | CT | HA | 121.8° | 115.5° |
| N | CA | CT | O2 | 157.3° | 175.6° |
| N | CA | CT | O1 | 26.1° | 4.4° |
| N | CA | CB | CG | 75.2° | 66.4° |
| N | CA | CB | HB1 | 164.8° | 58.1° |
| N | CA | CB | HB2 | 42.0° | 172.8° |
| H | N | CA | CB | 75.7° | 86.0° |
| H | N | CA | CT | 34.9° | 38.2° |
| H | N | CA | HA | 161.0° | 154.1° |
| CB | CA | CT | HA | 122.3° | 120.3° |
| CB | CA | CT | O2 | 86.8° | 60.2° |
| CB | CA | CT | O1 | 89.8° | 119.8° |
| CA | CB | CG | HB1 | 120.0° | 124.1° |
| CA | CB | CG | HB2 | 117.2° | 121.3° |
| CA | CB | HB1 | HB2 | 117.4° | 116.3° |
| CA | CB | CG | CD | 68.5° | 64.0° |
| CA | CB | CG | HG1 | 171.5° | 58.9° |
| CA | CB | CG | HG2 | 49.5° | 175.6° |
| CA | CT | O2 | O1 | 176.2° | 179.9° |
| CA | CT | O1 | HO1 | 176.3° | 179.9° |
| CT | CA | CB | CG | 173.4° | 55.4° |
| CT | CA | CB | HB1 | 53.4° | 180.0° |
| CT | CA | CB | HB2 | 69.3° | 65.3° |
| HA | CA | CT | O2 | 35.5° | 60.0° |
| HA | CA | CT | O1 | 147.9° | 119.9° |
| HA | CA | CB | CG | 47.4° | 174.9° |
| HA | CA | CB | HB1 | 72.6° | 60.6° |
| HA | CA | CB | HB2 | 164.7° | 54.1° |
| O2 | CT | O1 | HO1 | 0.0° | 0.1° |
| CG | CB | HB1 | HB2 | 117.5° | 115.4° |
| CB | CG | CD | HG1 | 120.0° | 124.5° |
| CB | CG | CD | HG2 | 117.9° | 121.8° |
| CB | CG | HG1 | HG2 | 118.1° | 119.2° |
| CB | CG | CD | OE1 | 156.3° | 124.5° |
| CB | CG | CD | OE2 | 22.4° | 56.1° |
| HB1 | CB | CG | CD | 51.5° | 60.1° |
| HB1 | CB | CG | HG1 | 68.5° | 177.0° |
| HB1 | CB | CG | HG2 | 169.5° | 60.3° |
| HB2 | CB | CG | CD | 174.3° | 174.7° |
| HB2 | CB | CG | HG1 | 54.3° | 62.4° |
| HB2 | CB | CG | HG2 | 67.7° | 54.3° |
| CD | CG | HG1 | HG2 | 118.1° | 114.8° |
| CG | CD | OE1 | OE2 | 178.6° | 179.3° |
| CG | CD | OE2 | HOE2 | 178.5° | 179.4° |
| HG1 | CG | CD | OE1 | 83.7° | 0.0° |
| HG1 | CG | CD | OE2 | 97.6° | 179.3° |
| HG2 | CG | CD | OE1 | 38.3° | 113.7° |
| HG2 | CG | CD | OE2 | 140.4° | 65.7° |
| OE1 | CD | OE2 | HOE2 | 0.0° | 0.0° |
