0Z9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N | C10 | sing | 1.35Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | N1 | sing | 1.35Å | 1.33Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| CG | CD2 | sing | 1.53Å | 1.52Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| N1 | CA1 | sing | 1.47Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | OH | sing | 1.42Å | 1.40Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| OH | HO | sing | 0.97Å | 0.95Å | |
| C10 | O4 | sing | 1.35Å | 1.43Å | |
| C10 | O5 | doub | 1.21Å | 1.22Å | |
| O4 | C11 | sing | 1.45Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C15 | C12 | doub | 1.38Å | 1.54Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.54Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.54Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.54Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.54Å | Aromatic |
| C13 | C17 | sing | 1.38Å | 1.54Å | Aromatic |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 125.2° | 120.0° |
| CA | N | C10 | 109.5° | 120.0° |
| N | CA | C | 112.6° | 109.5° |
| N | CA | CB | 109.4° | 109.5° |
| N | CA | HA | 106.6° | 109.5° |
| H | N | C10 | 125.3° | 120.0° |
| N | C10 | O4 | 109.5° | 120.0° |
| N | C10 | O5 | 109.4° | 120.0° |
| C | CA | CB | 106.9° | 109.5° |
| C | CA | HA | 109.1° | 109.5° |
| CA | C | O | 119.3° | 120.0° |
| CA | C | N1 | 117.7° | 120.0° |
| CB | CA | HA | 112.3° | 109.4° |
| CA | CB | CG | 117.0° | 109.5° |
| CA | CB | HB2 | 107.0° | 109.5° |
| CA | CB | HB3 | 105.3° | 109.4° |
| O | C | N1 | 122.9° | 120.0° |
| C | N1 | CA1 | 120.0° | 120.0° |
| C | N1 | HN1 | 120.0° | 120.0° |
| CG | CB | HB2 | 107.0° | 109.5° |
| CG | CB | HB3 | 105.3° | 109.5° |
| CB | CG | CD1 | 110.3° | 109.5° |
| CB | CG | CD2 | 110.8° | 109.4° |
| CB | CG | HG | 108.6° | 109.5° |
| HB2 | CB | HB3 | 115.5° | 109.4° |
| CD1 | CG | CD2 | 111.1° | 109.5° |
| CD1 | CG | HG | 108.3° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.4° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 107.8° | 109.4° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.5° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.5° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 109.4° |
| HD21 | CD2 | HD23 | 109.4° | 109.4° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| CA1 | N1 | HN1 | 120.0° | 120.0° |
| N1 | CA1 | CB1 | 110.4° | 109.5° |
| N1 | CA1 | C1 | 108.2° | 109.4° |
| N1 | CA1 | HA1 | 110.5° | 109.5° |
| CB1 | CA1 | C1 | 111.7° | 109.5° |
| CB1 | CA1 | HA1 | 106.8° | 109.5° |
| CA1 | CB1 | HB1 | 109.5° | 109.5° |
| CA1 | CB1 | HB21 | 109.5° | 109.5° |
| CA1 | CB1 | HB31 | 109.5° | 109.5° |
| C1 | CA1 | HA1 | 109.2° | 109.5° |
| CA1 | C1 | O1 | 124.8° | 120.0° |
| CA1 | C1 | N2 | 115.1° | 120.0° |
| HB1 | CB1 | HB21 | 109.5° | 109.5° |
| HB1 | CB1 | HB31 | 109.4° | 109.5° |
| HB21 | CB1 | HB31 | 109.5° | 109.4° |
| O1 | C1 | N2 | 120.0° | 120.0° |
| C1 | N2 | OH | 114.3° | 120.0° |
| C1 | N2 | HN2 | 122.9° | 120.0° |
| OH | N2 | HN2 | 122.9° | 120.0° |
| N2 | OH | HO | 109.5° | 114.0° |
| O4 | C10 | O5 | 109.5° | 120.0° |
| C10 | O4 | C11 | 133.8° | 117.0° |
| O4 | C11 | C12 | 120.0° | 109.5° |
| O4 | C11 | H19 | 106.1° | 109.5° |
| O4 | C11 | H20 | 103.6° | 109.5° |
| C11 | C12 | C15 | 104.8° | 120.0° |
| C11 | C12 | C16 | 134.9° | 120.0° |
| C12 | C11 | H19 | 106.1° | 109.4° |
| C12 | C11 | H20 | 103.7° | 109.4° |
| C15 | C12 | C16 | 120.0° | 120.0° |
| C12 | C15 | C14 | 120.0° | 119.9° |
| C12 | C15 | H23 | 120.0° | 120.1° |
| C12 | C16 | C17 | 120.0° | 120.0° |
| C12 | C16 | H24 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | C17 | 120.0° | 120.0° |
| C14 | C13 | H21 | 120.0° | 120.0° |
| C13 | C14 | H22 | 120.0° | 120.0° |
| C15 | C14 | H22 | 120.0° | 120.0° |
| C14 | C15 | H23 | 120.0° | 120.0° |
| C16 | C17 | C13 | 120.0° | 120.0° |
| C17 | C16 | H24 | 120.0° | 120.0° |
| C16 | C17 | H25 | 120.0° | 120.0° |
| C17 | C13 | H21 | 120.0° | 120.0° |
| C13 | C17 | H25 | 120.0° | 120.0° |
| H19 | C11 | H20 | 118.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | C10 | 180.0° | 180.0° |
| N | CA | C | CB | 120.1° | 120.0° |
| N | CA | C | HA | 118.2° | 120.0° |
| N | CA | CB | HA | 118.2° | 120.0° |
| N | CA | C | O | 53.8° | 0.0° |
| N | CA | C | N1 | 129.6° | 180.0° |
| N | CA | CB | CG | 106.6° | 64.9° |
| N | CA | CB | HB2 | 13.4° | 55.1° |
| N | CA | CB | HB3 | 136.9° | 175.0° |
| CA | N | C10 | O4 | 164.0° | 180.0° |
| CA | N | C10 | O5 | 76.0° | 0.0° |
| H | N | CA | C | 72.1° | 25.0° |
| H | N | CA | CB | 169.2° | 95.0° |
| H | N | CA | HA | 47.6° | 145.1° |
| H | N | C10 | O4 | 16.0° | 0.1° |
| H | N | C10 | O5 | 104.0° | 180.0° |
| C10 | N | CA | C | 107.9° | 155.0° |
| C10 | N | CA | CB | 10.8° | 84.9° |
| C10 | N | CA | HA | 132.5° | 35.0° |
| N | C10 | O4 | O5 | 120.0° | 180.0° |
| N | C10 | O4 | C11 | 157.8° | 180.0° |
| C | CA | CB | HA | 119.7° | 120.0° |
| CA | C | O | N1 | 176.4° | 180.0° |
| C | CA | CB | CG | 131.3° | 175.0° |
| C | CA | CB | HB2 | 108.7° | 65.0° |
| C | CA | CB | HB3 | 14.7° | 54.9° |
| CA | C | N1 | CA1 | 177.2° | 180.0° |
| CA | C | N1 | HN1 | 2.8° | 0.0° |
| CB | CA | C | O | 66.3° | 120.0° |
| CB | CA | C | N1 | 110.3° | 60.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 116.5° | 120.0° |
| CA | CB | HB2 | HB3 | 116.9° | 119.9° |
| CA | CB | CG | CD1 | 172.1° | 175.0° |
| CA | CB | CG | CD2 | 64.5° | 65.0° |
| CA | CB | CG | HG | 53.6° | 55.0° |
| HA | CA | C | O | 172.0° | 120.0° |
| HA | CA | C | N1 | 11.4° | 60.0° |
| HA | CA | CB | CG | 11.6° | 55.0° |
| HA | CA | CB | HB2 | 131.6° | 175.0° |
| HA | CA | CB | HB3 | 104.9° | 65.1° |
| O | C | N1 | CA1 | 0.7° | 0.0° |
| O | C | N1 | HN1 | 179.3° | 180.0° |
| C | N1 | CA1 | HN1 | 180.0° | 179.9° |
| C | N1 | CA1 | CB1 | 164.1° | 85.0° |
| C | N1 | CA1 | C1 | 73.4° | 155.0° |
| C | N1 | CA1 | HA1 | 46.1° | 35.0° |
| CG | CB | HB2 | HB3 | 116.9° | 120.0° |
| CB | CG | CD1 | CD2 | 123.2° | 120.0° |
| CB | CG | CD1 | HG | 118.7° | 120.1° |
| CB | CG | CD2 | HG | 118.6° | 120.0° |
| CB | CG | CD1 | HD11 | 112.9° | 59.9° |
| CB | CG | CD1 | HD12 | 7.1° | 180.0° |
| CB | CG | CD1 | HD13 | 127.1° | 60.0° |
| CB | CG | CD2 | HD21 | 174.9° | 60.0° |
| CB | CG | CD2 | HD22 | 54.9° | 60.0° |
| CB | CG | CD2 | HD23 | 65.1° | 180.0° |
| HB2 | CB | CG | CD1 | 52.1° | 55.0° |
| HB2 | CB | CG | CD2 | 175.5° | 175.0° |
| HB2 | CB | CG | HG | 66.4° | 65.0° |
| HB3 | CB | CG | CD1 | 71.4° | 65.0° |
| HB3 | CB | CG | CD2 | 52.0° | 55.0° |
| HB3 | CB | CG | HG | 170.1° | 175.0° |
| CD1 | CG | CD2 | HG | 118.4° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 52.0° | 60.0° |
| CD1 | CG | CD2 | HD22 | 68.0° | 180.0° |
| CD1 | CG | CD2 | HD23 | 171.9° | 60.0° |
| CD2 | CG | CD1 | HD11 | 123.9° | 60.0° |
| CD2 | CG | CD1 | HD12 | 116.1° | 60.0° |
| CD2 | CG | CD1 | HD13 | 3.8° | 180.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.1° |
| HG | CG | CD1 | HD11 | 5.7° | 180.0° |
| HG | CG | CD1 | HD12 | 125.8° | 60.0° |
| HG | CG | CD1 | HD13 | 114.3° | 60.0° |
| HG | CG | CD2 | HD21 | 66.5° | 180.0° |
| HG | CG | CD2 | HD22 | 173.5° | 60.0° |
| HG | CG | CD2 | HD23 | 53.5° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 119.9° |
| N1 | CA1 | CB1 | C1 | 120.4° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 120.2° | 120.0° |
| N1 | CA1 | C1 | HA1 | 120.3° | 120.0° |
| N1 | CA1 | CB1 | HB1 | 152.0° | 180.0° |
| N1 | CA1 | CB1 | HB21 | 88.0° | 60.0° |
| N1 | CA1 | CB1 | HB31 | 32.0° | 59.9° |
| N1 | CA1 | C1 | O1 | 59.9° | 0.0° |
| N1 | CA1 | C1 | N2 | 117.9° | 180.0° |
| HN1 | N1 | CA1 | CB1 | 15.9° | 94.9° |
| HN1 | N1 | CA1 | C1 | 106.6° | 25.0° |
| HN1 | N1 | CA1 | HA1 | 133.9° | 145.1° |
| CB1 | CA1 | C1 | HA1 | 117.9° | 120.0° |
| CA1 | CB1 | HB1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | HB1 | HB31 | 120.0° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 120.0° | 120.0° |
| CB1 | CA1 | C1 | O1 | 61.8° | 120.0° |
| CB1 | CA1 | C1 | N2 | 120.3° | 60.0° |
| C1 | CA1 | CB1 | HB1 | 31.6° | 60.0° |
| C1 | CA1 | CB1 | HB21 | 151.6° | 180.0° |
| C1 | CA1 | CB1 | HB31 | 88.4° | 60.0° |
| CA1 | C1 | O1 | N2 | 177.8° | 180.0° |
| CA1 | C1 | N2 | OH | 179.6° | 180.0° |
| CA1 | C1 | N2 | HN2 | 0.5° | 0.0° |
| HA1 | CA1 | CB1 | HB1 | 87.8° | 60.0° |
| HA1 | CA1 | CB1 | HB21 | 32.2° | 60.0° |
| HA1 | CA1 | CB1 | HB31 | 152.2° | 179.9° |
| HA1 | CA1 | C1 | O1 | 179.7° | 120.0° |
| HA1 | CA1 | C1 | N2 | 2.4° | 60.0° |
| HB1 | CB1 | HB21 | HB31 | 119.9° | 120.0° |
| O1 | C1 | N2 | OH | 1.6° | 0.0° |
| O1 | C1 | N2 | HN2 | 178.5° | 180.0° |
| C1 | N2 | OH | HN2 | 180.0° | 180.0° |
| C1 | N2 | OH | HO | 93.0° | 180.0° |
| HN2 | N2 | OH | HO | 87.0° | 0.0° |
| C10 | O4 | C11 | C12 | 180.0° | 180.0° |
| C10 | O4 | C11 | H19 | 60.0° | 60.0° |
| C10 | O4 | C11 | H20 | 65.2° | 60.0° |
| O5 | C10 | O4 | C11 | 37.8° | 0.0° |
| O4 | C11 | C12 | H19 | 120.0° | 120.0° |
| O4 | C11 | C12 | H20 | 114.8° | 120.0° |
| O4 | C11 | C12 | C15 | 4.6° | 89.7° |
| O4 | C11 | C12 | C16 | 177.7° | 90.0° |
| O4 | C11 | H19 | H20 | 115.6° | 120.0° |
| C11 | C12 | C15 | C16 | 174.3° | 179.7° |
| C11 | C12 | C15 | C14 | 174.4° | 180.0° |
| C11 | C12 | C16 | C17 | 172.3° | 180.0° |
| C12 | C11 | H19 | H20 | 115.7° | 119.9° |
| C11 | C12 | C15 | H23 | 5.6° | 0.0° |
| C11 | C12 | C16 | H24 | 7.7° | 0.0° |
| C12 | C15 | C14 | C13 | 0.1° | 0.0° |
| C12 | C15 | C14 | H23 | 180.0° | 180.0° |
| C15 | C12 | C16 | C17 | 0.1° | 0.2° |
| C15 | C12 | C11 | H19 | 124.6° | 150.3° |
| C15 | C12 | C11 | H20 | 110.2° | 30.3° |
| C12 | C15 | C14 | H22 | 179.9° | 179.7° |
| C15 | C12 | C16 | H24 | 179.9° | 179.7° |
| C16 | C12 | C15 | C14 | 0.1° | 0.2° |
| C12 | C16 | C17 | H24 | 180.0° | 180.0° |
| C12 | C16 | C17 | C13 | 0.1° | 0.0° |
| C16 | C12 | C11 | H19 | 62.3° | 30.0° |
| C16 | C12 | C11 | H20 | 62.9° | 150.0° |
| C16 | C12 | C15 | H23 | 179.9° | 179.8° |
| C12 | C16 | C17 | H25 | 179.9° | 179.7° |
| C13 | C14 | C15 | H22 | 180.0° | 179.7° |
| C14 | C13 | C17 | C16 | 0.1° | 0.3° |
| C14 | C13 | C17 | H21 | 180.0° | 179.7° |
| C13 | C14 | C15 | H23 | 179.9° | 180.0° |
| C14 | C13 | C17 | H25 | 179.9° | 180.0° |
| C15 | C14 | C13 | C17 | 0.1° | 0.3° |
| C15 | C14 | C13 | H21 | 179.9° | 180.0° |
| C16 | C17 | C13 | H25 | 180.0° | 179.7° |
| C16 | C17 | C13 | H21 | 179.9° | 180.0° |
| C17 | C13 | C14 | H22 | 179.9° | 180.0° |
| C13 | C17 | C16 | H24 | 179.9° | 180.0° |
| H21 | C13 | C14 | H22 | 0.1° | 0.3° |
| H21 | C13 | C17 | H25 | 0.1° | 0.3° |
| H22 | C14 | C15 | H23 | 0.1° | 0.3° |
| H24 | C16 | C17 | H25 | 0.1° | 0.3° |
