J9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.26Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| C | OXT | sing | 1.22Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CD | NE | sing | 1.46Å | 1.48Å | |
| NE | O1 | sing | 1.42Å | 1.45Å | |
| NE | CZ | doub | 1.30Å | 1.33Å | |
| NH1 | CZ | sing | 1.38Å | 1.34Å | |
| NH1 | C1 | sing | 1.46Å | 1.47Å | |
| CZ | NH2 | sing | 1.38Å | 1.34Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| NH1 | H11 | sing | 0.97Å | 1.00Å | |
| NH2 | H12 | sing | 0.97Å | 1.00Å | |
| NH2 | H13 | sing | 0.97Å | 1.00Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 124.1° | 120.0° |
| O | C | CA | 119.1° | 120.0° |
| N | CA | C | 110.8° | 109.5° |
| N | CA | CB | 112.2° | 109.5° |
| CA | N | H1 | 109.5° | 110.9° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | H4 | 107.7° | 109.4° |
| OXT | C | CA | 116.8° | 120.0° |
| C | CA | CB | 111.3° | 109.5° |
| C | CA | H4 | 107.4° | 109.5° |
| CA | CB | CG | 115.5° | 109.5° |
| CB | CA | H4 | 107.1° | 109.5° |
| CA | CB | H5 | 108.0° | 109.4° |
| CA | CB | H6 | 108.0° | 109.5° |
| CB | CG | CD | 111.4° | 109.5° |
| CG | CB | H5 | 107.9° | 109.5° |
| CG | CB | H6 | 108.0° | 109.5° |
| CB | CG | H7 | 109.0° | 109.4° |
| CB | CG | H8 | 109.0° | 109.5° |
| CG | CD | NE | 107.8° | 109.5° |
| CD | CG | H7 | 109.0° | 109.5° |
| CD | CG | H8 | 109.0° | 109.5° |
| CG | CD | H9 | 109.9° | 109.4° |
| CG | CD | H10 | 109.9° | 109.5° |
| CD | NE | O1 | 117.0° | 120.0° |
| CD | NE | CZ | 122.0° | 120.0° |
| NE | CD | H9 | 109.9° | 109.5° |
| NE | CD | H10 | 109.9° | 109.5° |
| O1 | NE | CZ | 120.8° | 120.0° |
| NE | O1 | H18 | 109.5° | 114.0° |
| NE | CZ | NH1 | 120.7° | 120.0° |
| NE | CZ | NH2 | 119.2° | 120.0° |
| CZ | NH1 | C1 | 122.5° | 120.0° |
| NH1 | CZ | NH2 | 120.1° | 120.0° |
| CZ | NH1 | H11 | 118.7° | 120.0° |
| C1 | NH1 | H11 | 118.7° | 120.0° |
| NH1 | C1 | H15 | 109.5° | 109.5° |
| NH1 | C1 | H16 | 109.5° | 109.5° |
| NH1 | C1 | H17 | 109.5° | 109.5° |
| CZ | NH2 | H12 | 120.0° | 120.0° |
| CZ | NH2 | H13 | 120.0° | 120.0° |
| H1 | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.4° | 109.5° |
| H7 | CG | H8 | 109.5° | 109.4° |
| H9 | CD | H10 | 109.5° | 109.5° |
| H12 | NH2 | H13 | 120.0° | 120.0° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | N | 3.5° | 10.0° |
| O | C | OXT | CA | 179.9° | 180.0° |
| O | C | CA | CB | 122.2° | 110.0° |
| O | C | CA | H4 | 120.8° | 130.0° |
| N | CA | C | OXT | 176.4° | 170.0° |
| N | CA | C | CB | 125.7° | 120.0° |
| N | CA | C | H4 | 117.4° | 120.0° |
| N | CA | CB | H4 | 118.0° | 119.9° |
| N | CA | CB | CG | 78.4° | 65.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 160.7° | 55.0° |
| N | CA | CB | H6 | 42.4° | 175.0° |
| OXT | C | CA | CB | 57.9° | 70.0° |
| OXT | C | CA | H4 | 59.0° | 50.0° |
| C | CA | CB | H4 | 117.1° | 120.0° |
| C | CA | CB | CG | 46.4° | 175.0° |
| C | CA | N | H1 | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | H5 | 74.4° | 65.0° |
| C | CA | CB | H6 | 167.3° | 55.0° |
| CA | CB | CG | H5 | 120.9° | 120.0° |
| CA | CB | CG | H6 | 120.9° | 120.0° |
| CA | CB | CG | CD | 179.3° | NaN° |
| CB | CA | N | H1 | 54.8° | 176.1° |
| CB | CA | N | H2 | 174.8° | 60.1° |
| CA | CB | H5 | H6 | 117.3° | 120.0° |
| CA | CB | CG | H7 | 60.4° | 60.0° |
| CA | CB | CG | H8 | 59.0° | 59.9° |
| CB | CG | CD | H7 | 120.3° | 120.0° |
| CB | CG | CD | H8 | 120.3° | 120.0° |
| CB | CG | CD | NE | 166.8° | 180.0° |
| CG | CB | CA | H4 | 163.6° | 55.0° |
| CG | CB | H5 | H6 | 117.3° | 120.0° |
| CB | CG | H7 | H8 | 119.1° | 119.9° |
| CB | CG | CD | H9 | 47.1° | 60.0° |
| CB | CG | CD | H10 | 73.5° | 60.0° |
| CG | CD | NE | H9 | 119.8° | 120.0° |
| CG | CD | NE | H10 | 119.7° | 120.0° |
| CG | CD | NE | O1 | 85.3° | 105.0° |
| CG | CD | NE | CZ | 89.4° | 75.0° |
| CD | CG | CB | H5 | 58.4° | 60.0° |
| CD | CG | CB | H6 | 59.8° | 60.0° |
| CD | CG | H7 | H8 | 119.1° | 120.0° |
| CG | CD | H9 | H10 | 120.8° | 120.0° |
| CD | NE | O1 | CZ | 174.8° | 179.9° |
| CD | NE | CZ | NH1 | 0.5° | 5.9° |
| CD | NE | CZ | NH2 | 177.7° | 174.0° |
| NE | CD | CG | H7 | 72.9° | 60.0° |
| NE | CD | CG | H8 | 46.5° | 60.0° |
| NE | CD | H9 | H10 | 120.7° | 120.0° |
| CD | NE | O1 | H18 | 180.0° | 175.0° |
| O1 | NE | CZ | NH1 | 175.0° | 174.1° |
| O1 | NE | CZ | NH2 | 3.2° | 5.9° |
| O1 | NE | CD | H9 | 34.4° | 135.1° |
| O1 | NE | CD | H10 | 154.9° | 15.1° |
| NE | CZ | NH1 | NH2 | 178.2° | 180.0° |
| NE | CZ | NH1 | C1 | 170.1° | 180.0° |
| CZ | NE | CD | H9 | 150.9° | 45.0° |
| CZ | NE | CD | H10 | 30.4° | 165.0° |
| NE | CZ | NH1 | H11 | 9.9° | 0.0° |
| NE | CZ | NH2 | H12 | 178.2° | 5.4° |
| NE | CZ | NH2 | H13 | 1.8° | 174.5° |
| CZ | NE | O1 | H18 | 5.2° | 4.9° |
| CZ | NH1 | C1 | H11 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | H12 | 0.0° | 174.6° |
| NH1 | CZ | NH2 | H13 | 180.0° | 5.5° |
| CZ | NH1 | C1 | H15 | 180.0° | 59.9° |
| CZ | NH1 | C1 | H16 | 60.0° | 60.0° |
| CZ | NH1 | C1 | H17 | 60.0° | 180.0° |
| C1 | NH1 | CZ | NH2 | 11.7° | 0.1° |
| NH1 | C1 | H15 | H16 | 120.0° | 120.0° |
| NH1 | C1 | H15 | H17 | 120.0° | 120.1° |
| NH1 | C1 | H16 | H17 | 120.0° | 120.0° |
| NH2 | CZ | NH1 | H11 | 168.3° | 180.0° |
| CZ | NH2 | H12 | H13 | 180.0° | 179.9° |
| H1 | N | CA | H4 | 62.8° | 56.1° |
| H2 | N | CA | H4 | 57.2° | 180.0° |
| H4 | CA | CB | H5 | 42.7° | 175.0° |
| H4 | CA | CB | H6 | 75.5° | 65.0° |
| H5 | CB | CG | H7 | 178.7° | 179.9° |
| H5 | CB | CG | H8 | 61.9° | 60.0° |
| H6 | CB | CG | H7 | 60.5° | 60.1° |
| H6 | CB | CG | H8 | 179.9° | 180.0° |
| H7 | CG | CD | H9 | 167.4° | 180.0° |
| H7 | CG | CD | H10 | 46.8° | 60.0° |
| H8 | CG | CD | H9 | 73.2° | 60.0° |
| H8 | CG | CD | H10 | 166.3° | 180.0° |
| H11 | NH1 | C1 | H15 | 0.0° | 120.1° |
| H11 | NH1 | C1 | H16 | 120.0° | 120.0° |
| H11 | NH1 | C1 | H17 | 120.0° | 0.0° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
