1KC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | CA | sing | 1.43Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | CAO | sing | 1.51Å | 1.53Å | |
| CAM | CAP | sing | 1.51Å | 1.51Å | |
| CAM | CAO | doub | 1.31Å | 1.40Å | |
| CAP | CAQ | sing | 1.53Å | 1.51Å | |
| CAQ | SAY | sing | 1.81Å | 1.78Å | |
| CB | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| SAY | CAB | sing | 1.81Å | 1.78Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CAO | H36 | sing | 1.08Å | 1.08Å | |
| CAM | H38 | sing | 1.08Å | 1.08Å | |
| CAP | H40 | sing | 1.09Å | 1.10Å | |
| CAP | H41 | sing | 1.09Å | 1.10Å | |
| CAQ | H42 | sing | 1.09Å | 1.10Å | |
| CAQ | H43 | sing | 1.09Å | 1.10Å | |
| CAB | H44 | sing | 1.09Å | 1.10Å | |
| CAB | H45 | sing | 1.09Å | 1.10Å | |
| CAB | H46 | sing | 1.09Å | 1.10Å | |
| O1 | H | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 100.00Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | CA | CB | 112.9° | 109.5° |
| O1 | CA | CAO | 114.4° | 109.5° |
| O1 | CA | HA | 105.5° | 109.5° |
| CA | O1 | H | 109.5° | 114.0° |
| CB | CA | CAO | 113.8° | 109.5° |
| CA | CB | C | 116.3° | 109.5° |
| CA | CB | H3 | 107.7° | 109.5° |
| CA | CB | H4 | 107.7° | 109.4° |
| CB | CA | HA | 104.6° | 109.4° |
| CA | CAO | CAM | 120.6° | 120.0° |
| CAO | CA | HA | 104.5° | 109.5° |
| CA | CAO | H36 | 119.7° | 120.1° |
| CAP | CAM | CAO | 117.7° | 120.0° |
| CAM | CAP | CAQ | 117.8° | 109.5° |
| CAP | CAM | H38 | 121.2° | 120.0° |
| CAM | CAP | H40 | 107.3° | 109.5° |
| CAM | CAP | H41 | 107.4° | 109.5° |
| CAM | CAO | H36 | 119.7° | 120.0° |
| CAO | CAM | H38 | 121.2° | 120.0° |
| CAP | CAQ | SAY | 117.3° | 109.5° |
| CAQ | CAP | H40 | 107.3° | 109.5° |
| CAQ | CAP | H41 | 107.3° | 109.5° |
| CAP | CAQ | H42 | 107.5° | 109.4° |
| CAP | CAQ | H43 | 107.5° | 109.5° |
| CAQ | SAY | CAB | 108.9° | 103.0° |
| SAY | CAQ | H42 | 107.5° | 109.5° |
| SAY | CAQ | H43 | 107.5° | 109.5° |
| CB | C | O | 120.0° | 120.0° |
| C | CB | H3 | 107.7° | 109.5° |
| C | CB | H4 | 107.7° | 109.4° |
| CB | C | OXT | 40.2° | 120.0° |
| O | C | OXT | 121.8° | 120.0° |
| SAY | CAB | H44 | 109.5° | 109.4° |
| SAY | CAB | H45 | 109.4° | 109.5° |
| SAY | CAB | H46 | 109.4° | 109.5° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H40 | CAP | H41 | 109.5° | 109.4° |
| H42 | CAQ | H43 | 109.5° | 109.5° |
| H44 | CAB | H45 | 109.5° | 109.5° |
| H44 | CAB | H46 | 109.5° | 109.5° |
| H45 | CAB | H46 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | CA | CB | CAO | 132.5° | 120.0° |
| O1 | CA | CB | HA | 114.1° | 120.0° |
| O1 | CA | CAO | HA | 114.8° | 120.0° |
| O1 | CA | CAO | CAM | 59.1° | 5.0° |
| O1 | CA | CB | C | 65.7° | 65.0° |
| O1 | CA | CB | H3 | 173.4° | 175.0° |
| O1 | CA | CB | H4 | 55.3° | 55.0° |
| O1 | CA | CAO | H36 | 120.9° | 175.0° |
| CB | CA | CAO | HA | 113.4° | 119.9° |
| CB | CA | CAO | CAM | 169.1° | 125.0° |
| CA | CB | C | H3 | 121.0° | 120.0° |
| CA | CB | C | H4 | 121.0° | 120.0° |
| CA | CB | C | O | 109.6° | 0.1° |
| CA | CB | H3 | H4 | 116.9° | 120.0° |
| CB | CA | CAO | H36 | 10.9° | 54.9° |
| CB | CA | O1 | H | 180.0° | 60.0° |
| CA | CB | C | OXT | 145.2° | 180.0° |
| CA | CAO | CAM | CAP | 93.5° | 180.0° |
| CA | CAO | CAM | H36 | 180.0° | 180.0° |
| CAO | CA | CB | C | 66.9° | 175.0° |
| CAO | CA | CB | H3 | 54.1° | 55.0° |
| CAO | CA | CB | H4 | 172.2° | 65.1° |
| CA | CAO | CAM | H38 | 86.5° | 0.0° |
| CAO | CA | O1 | H | 47.8° | 60.0° |
| CAP | CAM | CAO | H38 | 180.0° | 180.0° |
| CAM | CAP | CAQ | H40 | 121.2° | 120.0° |
| CAM | CAP | CAQ | H41 | 121.2° | 120.0° |
| CAM | CAP | CAQ | SAY | 94.1° | 180.0° |
| CAP | CAM | CAO | H36 | 86.5° | 0.0° |
| CAM | CAP | H40 | H41 | 116.2° | 120.0° |
| CAM | CAP | CAQ | H42 | 144.8° | 60.0° |
| CAM | CAP | CAQ | H43 | 27.0° | 60.0° |
| CAO | CAM | CAP | CAQ | 141.8° | 125.0° |
| CAM | CAO | CA | HA | 55.7° | 115.0° |
| CAO | CAM | CAP | H40 | 20.6° | 114.9° |
| CAO | CAM | CAP | H41 | 97.0° | 5.0° |
| CAP | CAQ | SAY | H42 | 121.1° | 120.0° |
| CAP | CAQ | SAY | H43 | 121.1° | 120.0° |
| CAP | CAQ | SAY | CAB | 25.7° | 180.0° |
| CAQ | CAP | CAM | H38 | 38.2° | 55.0° |
| CAQ | CAP | H40 | H41 | 116.2° | 120.0° |
| CAP | CAQ | H42 | H43 | 116.5° | 120.0° |
| SAY | CAQ | CAP | H40 | 27.1° | 60.0° |
| SAY | CAQ | CAP | H41 | 144.7° | 60.0° |
| SAY | CAQ | H42 | H43 | 116.4° | 120.0° |
| CAQ | SAY | CAB | H44 | 180.0° | 60.0° |
| CAQ | SAY | CAB | H45 | 60.0° | 60.0° |
| CAQ | SAY | CAB | H46 | 60.0° | 180.0° |
| CB | C | O | OXT | 47.2° | 180.0° |
| C | CB | H3 | H4 | 116.9° | 120.0° |
| C | CB | CA | HA | 179.8° | 55.0° |
| CB | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CB | H3 | 129.4° | 120.0° |
| O | C | CB | H4 | 11.4° | 120.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CAB | SAY | CAQ | H42 | 146.8° | 60.0° |
| CAB | SAY | CAQ | H43 | 95.4° | 60.0° |
| SAY | CAB | H44 | H45 | 120.0° | 120.0° |
| SAY | CAB | H44 | H46 | 120.0° | 120.0° |
| SAY | CAB | H45 | H46 | 120.0° | 120.0° |
| H3 | CB | CA | HA | 59.2° | 65.0° |
| H3 | CB | C | OXT | 24.3° | 60.0° |
| H4 | CB | CA | HA | 58.8° | 175.0° |
| H4 | CB | C | OXT | 93.8° | 60.0° |
| HA | CA | CAO | H36 | 124.3° | 65.0° |
| HA | CA | O1 | H | 66.4° | 180.0° |
| H36 | CAO | CAM | H38 | 93.5° | 180.0° |
| H38 | CAM | CAP | H40 | 159.4° | 65.0° |
| H38 | CAM | CAP | H41 | 83.0° | 175.0° |
| H40 | CAP | CAQ | H42 | 94.0° | 180.0° |
| H40 | CAP | CAQ | H43 | 148.2° | 60.1° |
| H41 | CAP | CAQ | H42 | 23.6° | 60.0° |
| H41 | CAP | CAQ | H43 | 94.2° | 180.0° |
| H44 | CAB | H45 | H46 | 120.0° | 120.0° |
