J9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C08 | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C08 | N07 | sing | 1.47Å | 1.45Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| N07 | C06 | sing | 1.35Å | 1.46Å | |
| O01 | C02 | doub | 1.21Å | 1.27Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C02 | O16 | sing | 1.34Å | 1.27Å | |
| C06 | O14 | doub | 1.21Å | 1.19Å | |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | N15 | sing | 1.47Å | 1.45Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| N07 | H6 | sing | 0.97Å | 1.00Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N15 | H14 | sing | 1.01Å | 1.00Å | |
| N15 | H15 | sing | 1.01Å | 1.00Å | |
| O16 | H17 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 204.14Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C08 | 111.3° | 109.5° |
| N | CA | C | 110.6° | 109.5° |
| N | CA | HA | 109.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C08 | CA | C | 109.8° | 109.5° |
| CA | C08 | N07 | 110.2° | 109.5° |
| CA | C08 | H7 | 109.3° | 109.5° |
| CA | C08 | H8 | 109.3° | 109.5° |
| C08 | CA | HA | 108.1° | 109.5° |
| CA | C | O | 120.2° | 119.9° |
| C | CA | HA | 108.0° | 109.5° |
| CA | C | OXT | 35.1° | 120.0° |
| C08 | N07 | C06 | 121.5° | 120.0° |
| C08 | N07 | H6 | 119.2° | 120.0° |
| N07 | C08 | H7 | 109.3° | 109.5° |
| N07 | C08 | H8 | 109.3° | 109.4° |
| O | C | OXT | 87.9° | 120.0° |
| N07 | C06 | O14 | 119.3° | 120.0° |
| N07 | C06 | C05 | 121.3° | 120.0° |
| C06 | N07 | H6 | 119.2° | 120.0° |
| O01 | C02 | C03 | 119.7° | 120.0° |
| O01 | C02 | O16 | 121.0° | 120.0° |
| C02 | C03 | C04 | 114.9° | 109.4° |
| C03 | C02 | O16 | 119.3° | 120.0° |
| C02 | C03 | H1 | 108.1° | 109.4° |
| C02 | C03 | H10 | 108.1° | 109.5° |
| C03 | C04 | C05 | 115.2° | 109.4° |
| C04 | C03 | H1 | 108.1° | 109.5° |
| C04 | C03 | H10 | 108.1° | 109.5° |
| C03 | C04 | H3 | 108.0° | 109.5° |
| C03 | C04 | H4 | 108.0° | 109.5° |
| C02 | O16 | H17 | 109.5° | 117.0° |
| O14 | C06 | C05 | 119.4° | 120.1° |
| C06 | C05 | C04 | 115.2° | 109.5° |
| C06 | C05 | N15 | 110.1° | 109.4° |
| C06 | C05 | H5 | 107.8° | 109.5° |
| C04 | C05 | N15 | 106.8° | 109.5° |
| C05 | C04 | H3 | 108.0° | 109.5° |
| C05 | C04 | H4 | 108.0° | 109.5° |
| C04 | C05 | H5 | 107.9° | 109.5° |
| N15 | C05 | H5 | 108.9° | 109.5° |
| C05 | N15 | H14 | 109.5° | 111.0° |
| C05 | N15 | H15 | 109.4° | 111.0° |
| H1 | C03 | H10 | 109.5° | 109.5° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H14 | N15 | H15 | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C08 | C | 122.7° | 120.0° |
| N | CA | C08 | HA | 119.6° | 120.0° |
| N | CA | C | HA | 119.2° | 120.0° |
| N | CA | C08 | N07 | 69.7° | 55.0° |
| N | CA | C | O | 42.4° | 20.0° |
| N | CA | C08 | H7 | 170.2° | 175.0° |
| N | CA | C08 | H8 | 50.4° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 16.3° | 160.0° |
| C08 | CA | C | HA | 117.7° | 120.0° |
| CA | C08 | N07 | H7 | 120.1° | 120.0° |
| CA | C08 | N07 | H8 | 120.1° | 120.0° |
| C08 | CA | C | O | 80.8° | 100.0° |
| CA | C08 | N07 | C06 | 136.6° | 180.0° |
| CA | C08 | N07 | H6 | 43.4° | 0.1° |
| CA | C08 | H7 | H8 | 119.7° | 120.0° |
| C08 | CA | N | H | 180.0° | 60.0° |
| C08 | CA | N | H2 | 60.0° | 64.0° |
| C08 | CA | C | OXT | 106.8° | 80.0° |
| C | CA | C08 | N07 | 53.1° | 175.0° |
| CA | C | O | OXT | 14.7° | 180.0° |
| C | CA | C08 | H7 | 67.0° | 65.0° |
| C | CA | C08 | H8 | 173.1° | 55.0° |
| C | CA | N | H | 57.8° | 60.0° |
| C | CA | N | H2 | 62.3° | 176.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| C08 | N07 | C06 | H6 | 180.0° | 179.9° |
| C08 | N07 | C06 | O14 | 1.8° | 0.1° |
| C08 | N07 | C06 | C05 | 179.8° | 180.0° |
| N07 | C08 | H7 | H8 | 119.6° | 120.0° |
| N07 | C08 | CA | HA | 170.7° | 65.0° |
| O | C | CA | HA | 161.6° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| N07 | C06 | O14 | C05 | 178.5° | 179.9° |
| N07 | C06 | C05 | C04 | 65.3° | 80.0° |
| N07 | C06 | C05 | N15 | 173.8° | 160.0° |
| N07 | C06 | C05 | H5 | 55.1° | 40.1° |
| C06 | N07 | C08 | H7 | 16.5° | 60.0° |
| C06 | N07 | C08 | H8 | 103.3° | 60.0° |
| O01 | C02 | C03 | O16 | 179.3° | 179.8° |
| O01 | C02 | C03 | C04 | 113.0° | 0.0° |
| O01 | C02 | C03 | H1 | 126.3° | 120.0° |
| O01 | C02 | C03 | H10 | 7.8° | 120.0° |
| O01 | C02 | O16 | H17 | 0.0° | 0.1° |
| C02 | C03 | C04 | H1 | 120.8° | 119.9° |
| C02 | C03 | C04 | H10 | 120.8° | 120.0° |
| C02 | C03 | C04 | C05 | 120.4° | 180.0° |
| C02 | C03 | H1 | H10 | 117.6° | 120.0° |
| C02 | C03 | C04 | H3 | 0.5° | 60.1° |
| C02 | C03 | C04 | H4 | 118.8° | 60.0° |
| C03 | C02 | O16 | H17 | 179.3° | 179.7° |
| C04 | C03 | C02 | O16 | 67.7° | 179.7° |
| C03 | C04 | C05 | C06 | 3.6° | 175.0° |
| C03 | C04 | C05 | H3 | 120.8° | 120.0° |
| C03 | C04 | C05 | H4 | 120.8° | 120.0° |
| C03 | C04 | C05 | N15 | 119.0° | 65.0° |
| C04 | C03 | H1 | H10 | 117.5° | 120.1° |
| C03 | C04 | H3 | H4 | 117.4° | 120.0° |
| C03 | C04 | C05 | H5 | 124.0° | 55.0° |
| O16 | C02 | C03 | H1 | 53.0° | 59.8° |
| O16 | C02 | C03 | H10 | 171.5° | 60.2° |
| O14 | C06 | C05 | C04 | 116.2° | 100.0° |
| O14 | C06 | C05 | N15 | 4.6° | 20.0° |
| O14 | C06 | C05 | H5 | 123.3° | 140.0° |
| O14 | C06 | N07 | H6 | 178.2° | 180.0° |
| C06 | C05 | C04 | N15 | 122.6° | 120.0° |
| C06 | C05 | C04 | H5 | 120.4° | 120.0° |
| C06 | C05 | N15 | H5 | 118.0° | 120.0° |
| C06 | C05 | C04 | H3 | 124.4° | 55.0° |
| C06 | C05 | C04 | H4 | 117.2° | 65.0° |
| C05 | C06 | N07 | H6 | 0.2° | 0.1° |
| C06 | C05 | N15 | H14 | 180.0° | 63.9° |
| C06 | C05 | N15 | H15 | 60.0° | 60.0° |
| C04 | C05 | N15 | H5 | 116.3° | 120.0° |
| C05 | C04 | C03 | H1 | 118.9° | 60.0° |
| C05 | C04 | C03 | H10 | 0.4° | 60.0° |
| C05 | C04 | H3 | H4 | 117.4° | 120.0° |
| C04 | C05 | N15 | H14 | 54.3° | 176.1° |
| C04 | C05 | N15 | H15 | 174.3° | 60.0° |
| N15 | C05 | C04 | H3 | 1.8° | 175.0° |
| N15 | C05 | C04 | H4 | 120.2° | 55.0° |
| C05 | N15 | H14 | H15 | 120.0° | 124.0° |
| H1 | C03 | C04 | H3 | 120.3° | 180.0° |
| H1 | C03 | C04 | H4 | 2.0° | 60.0° |
| H10 | C03 | C04 | H3 | 121.3° | 60.0° |
| H10 | C03 | C04 | H4 | 120.4° | 180.0° |
| H3 | C04 | C05 | H5 | 115.2° | 65.0° |
| H4 | C04 | C05 | H5 | 3.2° | 175.0° |
| H5 | C05 | N15 | H14 | 62.1° | 56.1° |
| H5 | C05 | N15 | H15 | 58.0° | 180.0° |
| H6 | N07 | C08 | H7 | 163.5° | 120.1° |
| H6 | N07 | C08 | H8 | 76.7° | 120.0° |
| H7 | C08 | CA | HA | 50.6° | 55.0° |
| H8 | C08 | CA | HA | 69.2° | 175.0° |
| HA | CA | N | H | 60.8° | 180.0° |
| HA | CA | N | H2 | 179.1° | 56.0° |
| HA | CA | C | OXT | 135.5° | 40.0° |
