2IQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CH | CT | sing | 1.53Å | 1.50Å | |
| CH | CZ | sing | 1.53Å | 1.51Å | |
| CE | CZ | sing | 1.53Å | 1.51Å | |
| CE | CD | sing | 1.53Å | 1.50Å | |
| CD | CG | sing | 1.53Å | 1.54Å | |
| CG | N | sing | 1.47Å | 1.49Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C1 | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CG | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| CD | H7 | sing | 1.09Å | 1.10Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| CE | H9 | sing | 1.09Å | 1.10Å | |
| CE | H10 | sing | 1.09Å | 1.10Å | |
| CZ | H11 | sing | 1.09Å | 1.10Å | |
| CZ | H12 | sing | 1.09Å | 1.10Å | |
| CH | H13 | sing | 1.09Å | 1.10Å | |
| CH | H14 | sing | 1.09Å | 1.10Å | |
| CT | H15 | sing | 1.09Å | 1.10Å | |
| CT | H16 | sing | 1.09Å | 1.10Å | |
| CT | H17 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CT | CH | CZ | 105.5° | 109.4° |
| CT | CH | H13 | 110.4° | 109.5° |
| CT | CH | H14 | 110.5° | 109.5° |
| CH | CT | H15 | 109.5° | 109.5° |
| CH | CT | H16 | 109.4° | 109.5° |
| CH | CT | H17 | 109.5° | 109.4° |
| CH | CZ | CE | 106.8° | 109.5° |
| CH | CZ | H11 | 110.2° | 109.5° |
| CH | CZ | H12 | 110.1° | 109.5° |
| CZ | CH | H13 | 110.5° | 109.4° |
| CZ | CH | H14 | 110.5° | 109.5° |
| CZ | CE | CD | 112.6° | 109.5° |
| CZ | CE | H9 | 108.7° | 109.5° |
| CZ | CE | H10 | 108.7° | 109.5° |
| CE | CZ | H11 | 110.1° | 109.4° |
| CE | CZ | H12 | 110.2° | 109.5° |
| CE | CD | CG | 110.8° | 109.5° |
| CE | CD | H7 | 109.1° | 109.5° |
| CE | CD | H8 | 109.1° | 109.5° |
| CD | CE | H9 | 108.7° | 109.4° |
| CD | CE | H10 | 108.7° | 109.5° |
| CD | CG | N | 111.6° | 109.5° |
| CD | CG | H5 | 108.9° | 109.5° |
| CD | CG | H6 | 109.0° | 109.5° |
| CG | CD | H7 | 109.1° | 109.4° |
| CG | CD | H8 | 109.2° | 109.5° |
| CG | N | C1 | 118.2° | 111.0° |
| CG | N | H | 107.2° | 111.0° |
| N | CG | H5 | 109.0° | 109.4° |
| N | CG | H6 | 108.9° | 109.4° |
| N | C1 | C | 109.9° | 109.5° |
| N | C1 | H1 | 109.3° | 109.4° |
| N | C1 | H4 | 109.4° | 109.4° |
| C1 | N | H | 107.2° | 111.0° |
| C1 | C | O | 120.3° | 120.0° |
| C1 | C | OXT | 117.1° | 120.0° |
| C | C1 | H1 | 109.4° | 109.5° |
| C | C1 | H4 | 109.3° | 109.5° |
| O | C | OXT | 122.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | C1 | H4 | 109.5° | 109.5° |
| H5 | CG | H6 | 109.5° | 109.5° |
| H7 | CD | H8 | 109.5° | 109.4° |
| H9 | CE | H10 | 109.5° | 109.4° |
| H11 | CZ | H12 | 109.5° | 109.4° |
| H13 | CH | H14 | 109.5° | 109.5° |
| H15 | CT | H16 | 109.5° | 109.5° |
| H15 | CT | H17 | 109.5° | 109.4° |
| H16 | CT | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CT | CH | CZ | H13 | 119.3° | 119.9° |
| CT | CH | CZ | H14 | 119.4° | 120.0° |
| CT | CH | CZ | CE | 178.7° | 180.0° |
| CT | CH | CZ | H11 | 61.7° | 60.0° |
| CT | CH | CZ | H12 | 59.1° | 60.0° |
| CT | CH | H13 | H14 | 121.8° | 120.0° |
| CH | CT | H15 | H16 | 120.0° | 120.0° |
| CH | CT | H15 | H17 | 120.1° | 119.9° |
| CH | CT | H16 | H17 | 120.0° | 120.0° |
| CH | CZ | CE | H11 | 119.6° | 120.0° |
| CH | CZ | CE | H12 | 119.6° | 120.1° |
| CH | CZ | CE | CD | 141.3° | 180.0° |
| CH | CZ | CE | H9 | 98.3° | 60.0° |
| CH | CZ | CE | H10 | 20.8° | 59.9° |
| CH | CZ | H11 | H12 | 121.2° | 120.0° |
| CZ | CH | H13 | H14 | 121.9° | 120.0° |
| CZ | CH | CT | H15 | 180.0° | 60.1° |
| CZ | CH | CT | H16 | 60.0° | 60.0° |
| CZ | CH | CT | H17 | 60.0° | 180.0° |
| CZ | CE | CD | H9 | 120.5° | 120.0° |
| CZ | CE | CD | H10 | 120.4° | 120.0° |
| CZ | CE | CD | CG | 112.2° | NaN° |
| CZ | CE | CD | H7 | 127.6° | 60.0° |
| CZ | CE | CD | H8 | 8.1° | 60.0° |
| CZ | CE | H9 | H10 | 118.6° | 120.0° |
| CE | CZ | H11 | H12 | 121.2° | 120.0° |
| CE | CZ | CH | H13 | 59.4° | 60.1° |
| CE | CZ | CH | H14 | 61.9° | 60.0° |
| CE | CD | CG | H7 | 120.2° | 120.0° |
| CE | CD | CG | H8 | 120.2° | 120.1° |
| CE | CD | CG | N | 149.5° | 180.0° |
| CE | CD | CG | H5 | 90.1° | 60.0° |
| CE | CD | CG | H6 | 29.2° | 60.0° |
| CE | CD | H7 | H8 | 119.4° | 120.0° |
| CD | CE | H9 | H10 | 118.6° | 120.0° |
| CD | CE | CZ | H11 | 21.7° | 60.0° |
| CD | CE | CZ | H12 | 99.1° | 59.9° |
| CD | CG | N | H5 | 120.3° | 120.0° |
| CD | CG | N | H6 | 120.3° | 120.1° |
| CD | CG | N | C1 | 64.5° | 180.0° |
| CD | CG | N | H | 174.3° | 56.0° |
| CD | CG | H5 | H6 | 119.0° | 120.1° |
| CG | CD | H7 | H8 | 119.4° | 120.0° |
| CG | CD | CE | H9 | 8.3° | 60.0° |
| CG | CD | CE | H10 | 127.4° | 60.0° |
| CG | N | C1 | H | 121.2° | 124.0° |
| CG | N | C1 | C | 72.2° | 180.0° |
| CG | N | C1 | H1 | 167.8° | 60.0° |
| CG | N | C1 | H4 | 47.9° | 60.0° |
| N | CG | H5 | H6 | 119.0° | 119.9° |
| N | CG | CD | H7 | 29.3° | 60.0° |
| N | CG | CD | H8 | 90.3° | 60.0° |
| N | C1 | C | H1 | 120.0° | 120.0° |
| N | C1 | C | H4 | 120.1° | 120.0° |
| N | C1 | C | O | 152.4° | 0.0° |
| N | C1 | C | OXT | 31.1° | 179.7° |
| N | C1 | H1 | H4 | 119.8° | 119.9° |
| C1 | N | CG | H5 | 55.8° | 60.0° |
| C1 | N | CG | H6 | 175.2° | 60.0° |
| C1 | C | O | OXT | 176.3° | 179.7° |
| C | C1 | H1 | H4 | 119.8° | 120.1° |
| C | C1 | N | H | 49.0° | 56.0° |
| C1 | C | OXT | HXT | 176.4° | 179.7° |
| O | C | C1 | H1 | 87.6° | 120.0° |
| O | C | C1 | H4 | 32.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | C1 | H1 | 88.9° | 59.7° |
| OXT | C | C1 | H4 | 151.2° | 60.3° |
| H1 | C1 | N | H | 71.0° | 64.0° |
| H4 | C1 | N | H | 169.1° | 176.0° |
| H | N | CG | H5 | 65.4° | 64.0° |
| H | N | CG | H6 | 54.0° | 176.0° |
| H5 | CG | CD | H7 | 149.7° | 180.0° |
| H5 | CG | CD | H8 | 30.1° | 60.0° |
| H6 | CG | CD | H7 | 91.0° | 60.0° |
| H6 | CG | CD | H8 | 149.4° | 180.0° |
| H7 | CD | CE | H9 | 111.9° | 180.0° |
| H7 | CD | CE | H10 | 7.2° | 60.0° |
| H8 | CD | CE | H9 | 128.5° | 60.0° |
| H8 | CD | CE | H10 | 112.4° | 180.0° |
| H9 | CE | CZ | H11 | 142.1° | 180.0° |
| H9 | CE | CZ | H12 | 21.3° | 60.0° |
| H10 | CE | CZ | H11 | 98.8° | 60.0° |
| H10 | CE | CZ | H12 | 140.4° | NaN° |
| H11 | CZ | CH | H13 | 178.9° | 180.0° |
| H11 | CZ | CH | H14 | 57.6° | 60.0° |
| H12 | CZ | CH | H13 | 60.2° | 60.0° |
| H12 | CZ | CH | H14 | 178.5° | 180.0° |
| H13 | CH | CT | H15 | 60.6° | 180.0° |
| H13 | CH | CT | H16 | 59.4° | 60.0° |
| H13 | CH | CT | H17 | 179.3° | 60.1° |
| H14 | CH | CT | H15 | 60.6° | 60.0° |
| H14 | CH | CT | H16 | 179.4° | 180.0° |
| H14 | CH | CT | H17 | 59.4° | 60.0° |
| H15 | CT | H16 | H17 | 120.0° | 120.0° |
