C4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.58Å | 1.58Å | |
| OXT | HXT | sing | 0.95Å | 0.95Å | |
| O | C | doub | 1.23Å | 1.23Å | |
| C | CA | sing | 1.52Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.54Å | 1.54Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| CB | SG | sing | 1.79Å | 1.79Å | |
| CB | HB | sing | 1.10Å | 1.10Å | |
| CB | HBA | sing | 1.10Å | 1.10Å | |
| SG | C15 | sing | 1.77Å | 1.77Å | |
| SG | RH | sing | 2.25Å | 2.25Å | |
| C15 | C10 | sing | 1.52Å | 1.52Å | |
| C15 | C13 | sing | 1.51Å | 1.51Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C16 | C13 | sing | 1.52Å | 1.52Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | doub | 1.33Å | 1.33Å | |
| RH | C12 | sing | 2.37Å | 2.37Å | |
| RH | C11 | sing | 2.70Å | 2.70Å | |
| C10 | C11 | sing | 1.50Å | 1.50Å | |
| C17 | C16 | sing | 1.54Å | 1.54Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C16 | H16A | sing | 1.10Å | 1.10Å | |
| C10 | C17 | sing | 1.52Å | 1.52Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C17 | H17A | sing | 1.10Å | 1.10Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| SG | HSG | sing | 1.30Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 109.5° | 109.5° |
| OXT | C | O | 117.6° | 117.6° |
| OXT | C | CA | 114.7° | 114.7° |
| O | C | CA | 127.5° | 127.5° |
| C | CA | N | 108.0° | 108.0° |
| C | CA | CB | 109.4° | 109.4° |
| C | CA | HA | 109.4° | 109.4° |
| N | CA | CB | 111.0° | 111.0° |
| N | CA | HA | 109.9° | 109.9° |
| CA | N | H | 109.5° | 109.5° |
| CA | N | H2 | 109.5° | 109.5° |
| CB | CA | HA | 109.0° | 109.0° |
| CA | CB | SG | 113.5° | 113.5° |
| CA | CB | HB | 108.4° | 108.4° |
| CA | CB | HBA | 108.4° | 108.4° |
| H | N | H2 | 109.4° | 109.5° |
| SG | CB | HB | 108.5° | 108.5° |
| SG | CB | HBA | 108.5° | 108.5° |
| CB | SG | C15 | 103.7° | 103.7° |
| CB | SG | RH | 108.0° | 108.0° |
| CB | SG | HSG | 116.7° | 116.7° |
| HB | CB | HBA | 109.5° | 109.5° |
| C15 | SG | RH | 98.6° | 98.6° |
| SG | C15 | C10 | 115.7° | 115.7° |
| SG | C15 | C13 | 112.4° | 112.4° |
| SG | C15 | H15 | 109.0° | 109.0° |
| C15 | SG | HSG | 117.0° | 117.0° |
| SG | RH | C12 | 83.5° | 83.5° |
| SG | RH | C11 | 77.8° | 77.8° |
| RH | SG | HSG | 111.0° | 111.0° |
| C10 | C15 | C13 | 94.6° | 94.6° |
| C10 | C15 | H15 | 112.2° | 112.2° |
| C15 | C10 | C11 | 101.9° | 101.9° |
| C15 | C10 | C17 | 101.0° | 101.0° |
| C15 | C10 | H10 | 116.5° | 116.5° |
| C13 | C15 | H15 | 112.4° | 112.4° |
| C15 | C13 | C16 | 98.2° | 98.2° |
| C15 | C13 | C12 | 101.0° | 101.0° |
| C15 | C13 | H13 | 116.3° | 116.3° |
| C16 | C13 | C12 | 106.4° | 106.4° |
| C16 | C13 | H13 | 116.2° | 116.2° |
| C13 | C16 | C17 | 103.0° | 103.0° |
| C13 | C16 | H16 | 111.1° | 111.1° |
| C13 | C16 | H16A | 111.1° | 111.1° |
| C12 | C13 | H13 | 116.3° | 116.3° |
| C13 | C12 | C11 | 107.9° | 107.9° |
| C13 | C12 | RH | 101.7° | 101.7° |
| C11 | C12 | RH | 89.0° | 89.0° |
| C12 | C11 | RH | 61.5° | 61.5° |
| C12 | C11 | C10 | 106.5° | 106.5° |
| C12 | RH | C11 | 29.6° | 29.6° |
| RH | C11 | C10 | 107.6° | 107.6° |
| C11 | C10 | C17 | 101.7° | 101.7° |
| C11 | C10 | H10 | 116.8° | 116.7° |
| C17 | C16 | H16 | 111.0° | 111.0° |
| C17 | C16 | H16A | 111.0° | 111.0° |
| C16 | C17 | C10 | 102.8° | 102.8° |
| C16 | C17 | H17 | 111.1° | 111.1° |
| C16 | C17 | H17A | 111.1° | 111.1° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| C10 | C17 | H17 | 111.1° | 111.1° |
| C10 | C17 | H17A | 111.1° | 111.1° |
| C17 | C10 | H10 | 116.4° | 116.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 174.1° | 174.1° |
| OXT | C | CA | N | 46.0° | 46.0° |
| OXT | C | CA | CB | 75.0° | 75.0° |
| OXT | C | CA | HA | 165.6° | 165.6° |
| HXT | OXT | C | O | 0.0° | 0.0° |
| HXT | OXT | C | CA | 174.9° | 174.9° |
| O | C | CA | N | 128.3° | 128.3° |
| O | C | CA | CB | 110.7° | 110.7° |
| O | C | CA | HA | 8.7° | 8.7° |
| C | CA | N | CB | 120.0° | 120.0° |
| C | CA | N | HA | 119.3° | 119.3° |
| C | CA | CB | HA | 119.6° | 119.6° |
| C | CA | N | H | 180.0° | 180.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | SG | 10.4° | 10.4° |
| C | CA | CB | HB | 131.0° | 131.0° |
| C | CA | CB | HBA | 110.2° | 110.2° |
| N | CA | CB | HA | 121.3° | 121.3° |
| CA | N | H | H2 | 120.0° | 120.0° |
| N | CA | CB | SG | 129.6° | 129.6° |
| N | CA | CB | HB | 109.8° | 109.8° |
| N | CA | CB | HBA | 9.0° | 9.0° |
| CB | CA | N | H | 60.0° | 60.0° |
| CB | CA | N | H2 | 180.0° | 180.0° |
| CA | CB | SG | HB | 120.6° | 120.6° |
| CA | CB | SG | HBA | 120.6° | 120.6° |
| CA | CB | HB | HBA | 118.1° | 118.1° |
| CA | CB | SG | C15 | 80.1° | 80.1° |
| CA | CB | SG | RH | 175.9° | 175.9° |
| CA | CB | SG | HSG | 50.1° | 50.1° |
| HA | CA | N | H | 60.7° | 60.7° |
| HA | CA | N | H2 | 59.3° | 59.3° |
| HA | CA | CB | SG | 109.2° | 109.2° |
| HA | CA | CB | HB | 11.4° | 11.4° |
| HA | CA | CB | HBA | 130.2° | 130.2° |
| SG | CB | HB | HBA | 118.2° | 118.2° |
| CB | SG | C15 | RH | 111.0° | 111.0° |
| CB | SG | C15 | HSG | 130.1° | 130.1° |
| CB | SG | RH | HSG | 129.1° | 129.1° |
| CB | SG | C15 | C10 | 177.4° | 177.4° |
| CB | SG | C15 | C13 | 70.3° | 70.3° |
| CB | SG | C15 | H15 | 55.0° | 55.0° |
| CB | SG | RH | C12 | 104.4° | 104.4° |
| CB | SG | RH | C11 | 133.8° | 133.8° |
| HB | CB | SG | C15 | 40.4° | 40.4° |
| HB | CB | SG | RH | 63.5° | 63.5° |
| HB | CB | SG | HSG | 170.7° | 170.7° |
| HBA | CB | SG | C15 | 159.3° | 159.3° |
| HBA | CB | SG | RH | 55.3° | 55.3° |
| HBA | CB | SG | HSG | 70.4° | 70.4° |
| C15 | SG | RH | HSG | 123.4° | 123.4° |
| SG | C15 | C10 | C13 | 117.6° | 117.6° |
| SG | C15 | C10 | H15 | 125.9° | 125.9° |
| SG | C15 | C13 | H15 | 123.4° | 123.4° |
| SG | C15 | C13 | C16 | 179.3° | 179.3° |
| SG | C15 | C13 | C12 | 72.1° | 72.1° |
| SG | C15 | C13 | H13 | 54.7° | 54.7° |
| C15 | SG | RH | C12 | 3.1° | 3.1° |
| C15 | SG | RH | C11 | 26.3° | 26.3° |
| SG | C15 | C10 | C11 | 69.1° | 69.1° |
| SG | C15 | C10 | C17 | 173.7° | 173.7° |
| SG | C15 | C10 | H10 | 59.2° | 59.1° |
| RH | SG | C15 | C10 | 66.4° | 66.4° |
| RH | SG | C15 | C13 | 40.7° | 40.7° |
| RH | SG | C15 | H15 | 166.0° | 166.0° |
| SG | RH | C12 | C13 | 31.6° | 31.6° |
| SG | RH | C12 | C11 | 76.5° | 76.5° |
| SG | RH | C11 | C10 | 1.0° | 1.0° |
| C10 | C15 | C13 | H15 | 116.3° | 116.3° |
| C10 | C15 | C13 | C16 | 60.4° | 60.4° |
| C10 | C15 | C13 | C12 | 48.2° | 48.2° |
| C10 | C15 | C13 | H13 | 175.0° | 175.0° |
| C15 | C10 | C11 | C12 | 31.5° | 31.5° |
| C15 | C10 | C11 | RH | 33.1° | 33.1° |
| C15 | C10 | C11 | C17 | 104.1° | 104.1° |
| C15 | C10 | C11 | H10 | 128.1° | 128.0° |
| C15 | C10 | C17 | C16 | 29.9° | 29.9° |
| C15 | C10 | C17 | H10 | 127.2° | 127.2° |
| C15 | C10 | C17 | H17 | 89.0° | 89.0° |
| C15 | C10 | C17 | H17A | 148.9° | 148.9° |
| C10 | C15 | SG | HSG | 52.5° | 52.5° |
| C15 | C13 | C16 | C12 | 104.1° | 104.1° |
| C15 | C13 | C16 | H13 | 124.7° | 124.7° |
| C15 | C13 | C12 | H13 | 126.8° | 126.8° |
| C15 | C13 | C12 | C11 | 32.5° | 32.5° |
| C15 | C13 | C12 | RH | 60.2° | 60.2° |
| C13 | C15 | C10 | C11 | 48.5° | 48.5° |
| C15 | C13 | C16 | C17 | 42.7° | 42.7° |
| C15 | C13 | C16 | H16 | 76.2° | 76.2° |
| C15 | C13 | C16 | H16A | 161.7° | 161.7° |
| C13 | C15 | C10 | C17 | 56.1° | 56.1° |
| C13 | C15 | C10 | H10 | 176.8° | 176.7° |
| C13 | C15 | SG | HSG | 159.6° | 159.6° |
| H15 | C15 | C13 | C16 | 55.9° | 55.9° |
| H15 | C15 | C13 | C12 | 164.5° | 164.5° |
| H15 | C15 | C13 | H13 | 68.7° | 68.7° |
| H15 | C15 | C10 | C11 | 165.0° | 165.0° |
| H15 | C15 | C10 | C17 | 60.3° | 60.3° |
| H15 | C15 | C10 | H10 | 66.8° | 66.8° |
| H15 | C15 | SG | HSG | 75.1° | 75.1° |
| C16 | C13 | C12 | H13 | 131.1° | 131.1° |
| C16 | C13 | C12 | C11 | 69.5° | 69.5° |
| C16 | C13 | C12 | RH | 162.2° | 162.2° |
| C13 | C16 | C17 | H16 | 119.0° | 119.0° |
| C13 | C16 | C17 | H16A | 119.0° | 119.0° |
| C13 | C16 | H16 | H16A | 123.0° | 123.0° |
| C13 | C16 | C17 | C10 | 7.7° | 7.7° |
| C13 | C16 | C17 | H17 | 126.6° | 126.6° |
| C13 | C16 | C17 | H17A | 111.2° | 111.2° |
| C13 | C12 | C11 | RH | 101.9° | 101.9° |
| C13 | C12 | C11 | C10 | 0.5° | 0.5° |
| C12 | C13 | C16 | C17 | 61.4° | 61.4° |
| C12 | C13 | C16 | H16 | 179.7° | 179.7° |
| C12 | C13 | C16 | H16A | 57.6° | 57.6° |
| H13 | C13 | C12 | C11 | 159.4° | 159.4° |
| H13 | C13 | C12 | RH | 66.6° | 66.6° |
| H13 | C13 | C16 | C17 | 167.4° | 167.4° |
| H13 | C13 | C16 | H16 | 48.5° | 48.5° |
| H13 | C13 | C16 | H16A | 73.6° | 73.6° |
| C12 | C11 | RH | C10 | 99.6° | 99.6° |
| C12 | C11 | C10 | C17 | 72.5° | 72.5° |
| C12 | C11 | C10 | H10 | 159.6° | 159.6° |
| C12 | RH | SG | HSG | 126.5° | 126.5° |
| RH | C11 | C10 | C17 | 137.1° | 137.1° |
| RH | C11 | C10 | H10 | 95.0° | 95.0° |
| C11 | RH | SG | HSG | 97.1° | 97.1° |
| C11 | C10 | C17 | C16 | 74.8° | 74.8° |
| C11 | C10 | C17 | H10 | 128.1° | 128.1° |
| C11 | C10 | C17 | H17 | 166.2° | 166.2° |
| C11 | C10 | C17 | H17A | 44.1° | 44.1° |
| C17 | C16 | H16 | H16A | 123.0° | 123.0° |
| C16 | C17 | C10 | H17 | 118.9° | 118.9° |
| C16 | C17 | C10 | H17A | 119.0° | 119.0° |
| C16 | C17 | H17 | H17A | 123.1° | 123.1° |
| C16 | C17 | C10 | H10 | 157.1° | 157.1° |
| H16 | C16 | C17 | C10 | 111.2° | 111.2° |
| H16 | C16 | C17 | H17 | 7.7° | 7.7° |
| H16 | C16 | C17 | H17A | 129.8° | 129.8° |
| H16A | C16 | C17 | C10 | 126.7° | 126.7° |
| H16A | C16 | C17 | H17 | 114.4° | 114.4° |
| H16A | C16 | C17 | H17A | 7.8° | 7.8° |
| C10 | C17 | H17 | H17A | 123.1° | 123.1° |
| H17 | C17 | C10 | H10 | 38.2° | 38.2° |
| H17A | C17 | C10 | H10 | 84.0° | 84.0° |
