GPB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.31Å | Aromatic |
| N1 | C8A | sing | 1.33Å | 1.44Å | Aromatic |
| C2 | NA2 | sing | 1.39Å | 1.26Å | |
| C2 | N3 | sing | 1.33Å | 1.43Å | Aromatic |
| NA2 | HA22 | sing | 0.97Å | 1.02Å | |
| NA2 | HA21 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | doub | 1.32Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.25Å | |
| C4 | C4A | sing | 1.39Å | 1.51Å | Aromatic |
| C5 | H53 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C4A | C6 | sing | 1.46Å | 1.57Å | Aromatic |
| C4A | C8A | doub | 1.41Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.34Å | 1.34Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | N8 | sing | 1.37Å | 1.28Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N8 | C8A | sing | 1.37Å | 1.37Å | Aromatic |
| N8 | H8 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C14 | sing | 1.51Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.47Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.41Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.46Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.21Å | |
| C | N | sing | 1.35Å | 1.26Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | CT | sing | 1.51Å | 1.55Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.59Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.51Å | 1.53Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CD | OE1 | doub | 1.21Å | 1.34Å | |
| CD | OE2 | sing | 1.34Å | 1.36Å | |
| OE2 | HE2O | sing | 0.97Å | 0.95Å | |
| CT | O1 | sing | 1.34Å | 1.25Å | |
| CT | O2 | doub | 1.21Å | 1.25Å | |
| O1 | H1O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 120.3° | 120.4° |
| N1 | C2 | NA2 | 123.4° | 118.8° |
| N1 | C2 | N3 | 118.5° | 122.4° |
| N1 | C8A | C4A | 123.8° | 118.7° |
| N1 | C8A | N8 | 119.3° | 134.2° |
| NA2 | C2 | N3 | 118.1° | 118.8° |
| C2 | NA2 | HA22 | 123.5° | 119.9° |
| C2 | NA2 | HA21 | 107.3° | 120.1° |
| C2 | N3 | C4 | 125.3° | 121.1° |
| HA22 | NA2 | HA21 | 107.2° | 120.0° |
| N3 | C4 | C5 | 119.7° | 120.7° |
| N3 | C4 | C4A | 115.8° | 118.6° |
| C5 | C4 | C4A | 124.5° | 120.7° |
| C4 | C5 | H53 | 119.8° | 109.5° |
| C4 | C5 | H52 | 108.5° | 109.5° |
| C4 | C5 | H51 | 108.5° | 109.4° |
| C4 | C4A | C6 | 145.2° | 135.0° |
| C4 | C4A | C8A | 116.2° | 118.8° |
| H53 | C5 | H52 | 108.6° | 109.5° |
| H53 | C5 | H51 | 108.5° | 109.5° |
| H52 | C5 | H51 | 101.4° | 109.5° |
| C6 | C4A | C8A | 98.6° | 106.2° |
| C4A | C6 | C7 | 103.1° | 106.8° |
| C4A | C6 | C9 | 133.2° | 126.6° |
| C4A | C8A | N8 | 116.9° | 107.1° |
| C7 | C6 | C9 | 123.8° | 126.6° |
| C6 | C7 | N8 | 118.7° | 109.9° |
| C6 | C7 | H7 | 122.6° | 125.0° |
| C6 | C9 | C10 | 130.4° | 109.5° |
| C6 | C9 | H91 | 104.9° | 109.4° |
| C6 | C9 | H92 | 104.9° | 109.5° |
| N8 | C7 | H7 | 118.7° | 125.1° |
| C7 | N8 | C8A | 102.8° | 110.0° |
| C7 | N8 | H8 | 126.3° | 125.0° |
| C8A | N8 | H8 | 130.9° | 125.0° |
| C10 | C9 | H91 | 104.9° | 109.5° |
| C10 | C9 | H92 | 104.9° | 109.5° |
| C9 | C10 | C14 | 129.3° | 109.5° |
| C9 | C10 | H101 | 105.3° | 109.5° |
| C9 | C10 | H102 | 105.3° | 109.5° |
| H91 | C9 | H92 | 104.2° | 109.4° |
| C14 | C10 | H101 | 105.3° | 109.5° |
| C14 | C10 | H102 | 105.3° | 109.4° |
| C10 | C14 | C13 | 117.8° | 119.8° |
| C10 | C14 | C15 | 121.6° | 119.9° |
| H101 | C10 | H102 | 104.0° | 109.4° |
| C12 | C11 | C16 | 117.1° | 119.7° |
| C12 | C11 | C | 120.0° | 120.2° |
| C11 | C12 | C13 | 121.3° | 119.9° |
| C11 | C12 | H12 | 119.8° | 120.0° |
| C16 | C11 | C | 122.9° | 120.1° |
| C11 | C16 | C15 | 122.7° | 119.8° |
| C11 | C16 | H16 | 119.3° | 120.0° |
| C11 | C | O | 124.6° | 120.0° |
| C11 | C | N | 117.0° | 120.0° |
| C13 | C12 | H12 | 118.9° | 120.1° |
| C12 | C13 | C14 | 121.4° | 120.1° |
| C12 | C13 | H13 | 116.3° | 119.9° |
| C14 | C13 | H13 | 122.3° | 119.9° |
| C13 | C14 | C15 | 120.6° | 120.3° |
| C14 | C15 | C16 | 117.0° | 120.2° |
| C14 | C15 | H15 | 119.3° | 119.9° |
| C16 | C15 | H15 | 123.8° | 119.9° |
| C15 | C16 | H16 | 118.0° | 120.2° |
| O | C | N | 118.3° | 120.0° |
| C | N | CA | 127.8° | 120.0° |
| C | N | H | 107.3° | 119.9° |
| CA | N | H | 124.9° | 120.1° |
| N | CA | CB | 103.7° | 109.5° |
| N | CA | CT | 109.8° | 109.5° |
| N | CA | HA1 | 112.4° | 109.5° |
| CB | CA | CT | 107.6° | 109.5° |
| CB | CA | HA1 | 114.4° | 109.5° |
| CA | CB | CG | 113.7° | 109.5° |
| CA | CB | HB2 | 110.7° | 109.4° |
| CA | CB | HB1 | 110.7° | 109.5° |
| CT | CA | HA1 | 108.7° | 109.4° |
| CA | CT | O1 | 122.1° | 120.0° |
| CA | CT | O2 | 117.4° | 120.0° |
| CG | CB | HB2 | 110.6° | 109.4° |
| CG | CB | HB1 | 110.7° | 109.5° |
| CB | CG | CD | 101.3° | 109.5° |
| CB | CG | HG2 | 115.4° | 109.5° |
| CB | CG | HG1 | 115.3° | 109.5° |
| HB2 | CB | HB1 | 99.6° | 109.5° |
| CD | CG | HG2 | 115.3° | 109.4° |
| CD | CG | HG1 | 115.3° | 109.5° |
| CG | CD | OE1 | 103.7° | 120.0° |
| CG | CD | OE2 | 121.6° | 120.0° |
| HG2 | CG | HG1 | 95.2° | 109.5° |
| OE1 | CD | OE2 | 134.7° | 120.0° |
| CD | OE2 | HE2O | 121.7° | 120.0° |
| O1 | CT | O2 | 120.5° | 120.0° |
| CT | O1 | H1O | 122.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | NA2 | N3 | 179.9° | 180.0° |
| N1 | C2 | NA2 | HA22 | 180.0° | 0.0° |
| N1 | C2 | NA2 | HA21 | 54.7° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | N1 | C8A | C4A | 0.1° | 0.3° |
| C2 | N1 | C8A | N8 | 179.2° | 180.0° |
| C8A | N1 | C2 | NA2 | 179.9° | 180.0° |
| C8A | N1 | C2 | N3 | 0.2° | 0.1° |
| N1 | C8A | C4A | C4 | 0.1° | 0.5° |
| N1 | C8A | C4A | C6 | 179.6° | 179.8° |
| N1 | C8A | C4A | N8 | 179.4° | 179.8° |
| N1 | C8A | N8 | C7 | 179.5° | 180.0° |
| N1 | C8A | N8 | H8 | 0.4° | 0.0° |
| C2 | NA2 | HA22 | HA21 | 125.3° | 180.0° |
| NA2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C2 | NA2 | HA22 | 0.0° | 180.0° |
| N3 | C2 | NA2 | HA21 | 125.3° | 0.0° |
| C2 | N3 | C4 | C5 | 180.0° | 180.0° |
| C2 | N3 | C4 | C4A | 0.2° | 0.2° |
| N3 | C4 | C5 | C4A | 179.8° | 179.8° |
| N3 | C4 | C5 | H53 | 180.0° | 89.9° |
| N3 | C4 | C5 | H52 | 54.7° | 150.0° |
| N3 | C4 | C5 | H51 | 54.7° | 30.0° |
| N3 | C4 | C4A | C6 | 179.2° | 179.5° |
| N3 | C4 | C4A | C8A | 0.2° | 0.5° |
| C4 | C5 | H53 | H52 | 125.3° | 120.0° |
| C4 | C5 | H53 | H51 | 125.3° | 119.9° |
| C4 | C5 | H52 | H51 | 114.1° | 120.0° |
| C5 | C4 | C4A | C6 | 0.5° | 0.7° |
| C5 | C4 | C4A | C8A | 180.0° | 179.8° |
| C4A | C4 | C5 | H53 | 0.2° | 90.3° |
| C4A | C4 | C5 | H52 | 125.5° | 29.8° |
| C4A | C4 | C5 | H51 | 125.1° | 149.8° |
| C4 | C4A | C6 | C8A | 179.5° | 179.2° |
| C4 | C4A | C6 | C7 | 179.2° | 179.5° |
| C4 | C4A | C6 | C9 | 0.4° | 0.7° |
| C4 | C4A | C8A | N8 | 179.4° | 179.7° |
| H53 | C5 | H52 | H51 | 114.2° | 120.0° |
| C4A | C6 | C7 | C9 | 179.7° | 179.8° |
| C4A | C6 | C7 | N8 | 0.3° | 0.2° |
| C4A | C6 | C7 | H7 | 179.7° | 179.8° |
| C6 | C4A | C8A | N8 | 0.3° | 0.4° |
| C4A | C6 | C9 | C10 | 29.3° | 89.7° |
| C4A | C6 | C9 | H91 | 154.5° | 30.3° |
| C4A | C6 | C9 | H92 | 96.0° | 150.2° |
| C8A | C4A | C6 | C7 | 0.3° | 0.3° |
| C8A | C4A | C6 | C9 | 180.0° | 179.9° |
| C4A | C8A | N8 | C7 | 0.1° | 0.3° |
| C4A | C8A | N8 | H8 | 179.8° | 179.8° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | C8A | 0.1° | 0.0° |
| C6 | C7 | N8 | H8 | 179.9° | 180.0° |
| C7 | C6 | C9 | C10 | 150.3° | 90.0° |
| C7 | C6 | C9 | H91 | 25.1° | 150.0° |
| C7 | C6 | C9 | H92 | 84.4° | 30.1° |
| C9 | C6 | C7 | N8 | 180.0° | 180.0° |
| C9 | C6 | C7 | H7 | 0.0° | 0.0° |
| C6 | C9 | C10 | H91 | 125.2° | 120.0° |
| C6 | C9 | C10 | H92 | 125.2° | 120.1° |
| C6 | C9 | H91 | H92 | 110.0° | 120.0° |
| C6 | C9 | C10 | C14 | 57.7° | 180.0° |
| C6 | C9 | C10 | H101 | 177.1° | 60.0° |
| C6 | C9 | C10 | H102 | 67.6° | 59.9° |
| C7 | N8 | C8A | H8 | 179.9° | 179.9° |
| H7 | C7 | N8 | C8A | 179.9° | 180.0° |
| H7 | C7 | N8 | H8 | 0.1° | 0.0° |
| C10 | C9 | H91 | H92 | 110.1° | 120.0° |
| C9 | C10 | C14 | H101 | 125.2° | 120.0° |
| C9 | C10 | C14 | H102 | 125.2° | 120.1° |
| C9 | C10 | H101 | H102 | 110.5° | 120.0° |
| C9 | C10 | C14 | C13 | 178.7° | 90.0° |
| C9 | C10 | C14 | C15 | 0.4° | 90.2° |
| H91 | C9 | C10 | C14 | 67.6° | 60.0° |
| H91 | C9 | C10 | H101 | 57.7° | NaN° |
| H91 | C9 | C10 | H102 | 167.2° | 60.0° |
| H92 | C9 | C10 | C14 | 177.1° | 60.0° |
| H92 | C9 | C10 | H101 | 51.8° | 60.0° |
| H92 | C9 | C10 | H102 | 57.7° | 180.0° |
| C14 | C10 | H101 | H102 | 110.5° | 119.9° |
| C10 | C14 | C13 | C12 | 178.5° | 180.0° |
| C10 | C14 | C13 | C15 | 179.1° | 179.8° |
| C10 | C14 | C13 | H13 | 1.5° | 0.0° |
| C10 | C14 | C15 | C16 | 178.5° | 179.7° |
| C10 | C14 | C15 | H15 | 1.4° | 0.2° |
| H101 | C10 | C14 | C13 | 56.1° | 30.0° |
| H101 | C10 | C14 | C15 | 124.8° | 149.8° |
| H102 | C10 | C14 | C13 | 53.4° | 150.0° |
| H102 | C10 | C14 | C15 | 125.7° | 29.8° |
| C12 | C11 | C16 | C | 180.0° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.3° |
| C12 | C11 | C16 | H16 | 179.5° | 180.0° |
| C12 | C11 | C | O | 31.6° | 0.1° |
| C12 | C11 | C | N | 151.8° | 180.0° |
| C16 | C11 | C12 | C13 | 0.4° | 0.1° |
| C16 | C11 | C12 | H12 | 179.7° | 179.9° |
| C11 | C16 | C15 | C14 | 0.0° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | H15 | 180.0° | 180.0° |
| C16 | C11 | C | O | 148.4° | 180.0° |
| C16 | C11 | C | N | 28.2° | 0.1° |
| C | C11 | C12 | C13 | 179.6° | 180.0° |
| C | C11 | C12 | H12 | 0.4° | 0.0° |
| C | C11 | C16 | C15 | 179.5° | 179.8° |
| C | C11 | C16 | H16 | 0.5° | 0.1° |
| C11 | C | O | N | 176.5° | 179.9° |
| C11 | C | N | CA | 174.7° | 179.9° |
| C11 | C | N | H | 5.3° | 0.2° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.7° | 0.2° |
| H12 | C12 | C13 | C14 | 179.8° | 180.0° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.5° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| H13 | C13 | C14 | C15 | 179.4° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | H16 | 180.0° | 179.8° |
| H15 | C15 | C16 | H16 | 0.0° | 0.3° |
| O | C | N | CA | 2.1° | 0.1° |
| O | C | N | H | 177.9° | 180.0° |
| C | N | CA | H | 180.0° | 179.9° |
| C | N | CA | CB | 97.6° | 150.1° |
| C | N | CA | CT | 147.6° | 90.0° |
| C | N | CA | HA1 | 26.5° | 30.0° |
| N | CA | CB | CT | 116.4° | 120.0° |
| N | CA | CB | HA1 | 122.8° | 120.1° |
| N | CA | CT | HA1 | 123.4° | 120.0° |
| N | CA | CB | CG | 118.1° | 60.0° |
| N | CA | CB | HB2 | 7.2° | 60.0° |
| N | CA | CB | HB1 | 116.6° | 180.0° |
| N | CA | CT | O1 | 16.6° | 30.0° |
| N | CA | CT | O2 | 162.8° | 150.0° |
| H | N | CA | CB | 82.4° | 30.0° |
| H | N | CA | CT | 32.4° | 89.9° |
| H | N | CA | HA1 | 153.6° | 150.1° |
| CB | CA | CT | HA1 | 124.4° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 119.9° |
| CA | CB | CG | HB1 | 125.3° | 120.1° |
| CA | CB | HB2 | HB1 | 116.5° | 120.0° |
| CA | CB | CG | CD | 179.6° | 180.0° |
| CA | CB | CG | HG2 | 54.4° | 60.1° |
| CA | CB | CG | HG1 | 55.2° | 60.0° |
| CB | CA | CT | O1 | 95.7° | 90.1° |
| CB | CA | CT | O2 | 84.9° | 90.0° |
| CT | CA | CB | CG | 125.5° | 180.0° |
| CT | CA | CB | HB2 | 109.2° | 60.0° |
| CT | CA | CB | HB1 | 0.3° | 60.0° |
| CA | CT | O1 | O2 | 179.4° | 179.9° |
| CA | CT | O1 | H1O | 180.0° | 180.0° |
| HA1 | CA | CB | CG | 4.7° | 60.1° |
| HA1 | CA | CB | HB2 | 129.9° | 180.0° |
| HA1 | CA | CB | HB1 | 120.6° | 60.0° |
| HA1 | CA | CT | O1 | 139.9° | 150.0° |
| HA1 | CA | CT | O2 | 39.5° | 30.0° |
| CG | CB | HB2 | HB1 | 116.5° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 120.1° |
| CB | CG | HG2 | HG1 | 121.2° | 120.0° |
| CB | CG | CD | OE1 | 117.7° | 0.1° |
| CB | CG | CD | OE2 | 63.7° | 180.0° |
| HB2 | CB | CG | CD | 55.1° | 60.1° |
| HB2 | CB | CG | HG2 | 179.7° | 180.0° |
| HB2 | CB | CG | HG1 | 70.1° | 60.0° |
| HB1 | CB | CG | CD | 54.3° | 59.9° |
| HB1 | CB | CG | HG2 | 70.9° | 60.0° |
| HB1 | CB | CG | HG1 | 179.5° | 180.0° |
| CD | CG | HG2 | HG1 | 121.2° | 120.0° |
| CG | CD | OE1 | OE2 | 178.3° | 179.9° |
| CG | CD | OE2 | HE2O | 180.0° | 180.0° |
| HG2 | CG | CD | OE1 | 117.0° | 120.1° |
| HG2 | CG | CD | OE2 | 61.6° | 60.0° |
| HG1 | CG | CD | OE1 | 7.5° | 120.0° |
| HG1 | CG | CD | OE2 | 171.0° | 60.0° |
| OE1 | CD | OE2 | HE2O | 2.0° | 0.1° |
| O2 | CT | O1 | H1O | 0.7° | 0.1° |
