KOR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAN | sing | 1.35Å | 1.23Å | |
| OAO | HAO | sing | 0.98Å | 0.95Å | |
| CAN | OAQ | doub | 1.23Å | 1.23Å | |
| CAN | CAJ | sing | 1.52Å | 1.53Å | |
| CAJ | NAK | sing | 1.44Å | 1.49Å | |
| CAJ | CAI | sing | 1.54Å | 1.54Å | |
| CAJ | HAJ | sing | 1.10Å | 1.11Å | |
| NAK | HAK1 | sing | 1.01Å | 1.02Å | |
| NAK | HAK2 | sing | 1.01Å | 1.02Å | |
| CAI | CAH | sing | 1.53Å | 1.50Å | |
| CAI | HAI3 | sing | 1.10Å | 1.11Å | |
| CAI | HAI2 | sing | 1.10Å | 1.12Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | OXT | sing | 1.36Å | 10.05Å | |
| C | CA | sing | 1.52Å | 1.52Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | H | sing | 1.00Å | 1.02Å | |
| N | H2 | sing | 0.99Å | 1.02Å | |
| OAA | SAE | doub | 1.50Å | 1.48Å | |
| CAH | SAG | sing | 1.82Å | 1.85Å | |
| CAH | HAH3 | sing | 1.09Å | 1.11Å | |
| CAH | HAH2 | sing | 1.09Å | 1.12Å | |
| SAG | NAF | sing | 1.65Å | 1.62Å | |
| NAF | SAE | sing | 1.67Å | 1.59Å | |
| NAF | HAF | sing | 1.02Å | 1.02Å | |
| SAE | CB | sing | 1.81Å | 1.81Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CA | HA | sing | 1.10Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | OAO | HAO | 109.5° | 115.0° |
| OAO | CAN | OAQ | 126.3° | 122.3° |
| OAO | CAN | CAJ | 115.8° | 114.5° |
| OAQ | CAN | CAJ | 118.0° | 123.2° |
| CAN | CAJ | NAK | 108.8° | 112.4° |
| CAN | CAJ | CAI | 109.5° | 112.1° |
| CAN | CAJ | HAJ | 109.7° | 105.9° |
| NAK | CAJ | CAI | 109.6° | 111.6° |
| NAK | CAJ | HAJ | 109.6° | 105.4° |
| CAJ | NAK | HAK1 | 127.1° | 119.1° |
| CAJ | NAK | HAK2 | 127.1° | 119.1° |
| CAI | CAJ | HAJ | 109.7° | 109.0° |
| CAJ | CAI | CAH | 121.7° | 113.6° |
| CAJ | CAI | HAI3 | 107.8° | 108.5° |
| CAJ | CAI | HAI2 | 107.8° | 108.7° |
| HAK1 | NAK | HAK2 | 81.3° | 120.5° |
| CAH | CAI | HAI3 | 107.9° | 109.3° |
| CAH | CAI | HAI2 | 107.9° | 109.5° |
| CAI | CAH | SAG | 101.3° | 110.3° |
| CAI | CAH | HAH3 | 115.3° | 111.0° |
| CAI | CAH | HAH2 | 115.3° | 111.1° |
| HAI3 | CAI | HAI2 | 102.0° | 106.9° |
| O | C | OXT | 161.4° | 123.5° |
| O | C | CA | 118.5° | 125.7° |
| OXT | C | CA | 57.8° | 110.8° |
| C | OXT | HXT | 161.4° | 111.9° |
| C | CA | N | 113.5° | 106.4° |
| C | CA | CB | 107.6° | 111.4° |
| C | CA | HA | 108.9° | 109.3° |
| CA | N | H | 102.9° | 117.9° |
| CA | N | H2 | 102.9° | 117.8° |
| N | CA | CB | 108.8° | 110.1° |
| N | CA | HA | 108.9° | 107.8° |
| H | N | H2 | 105.5° | 122.8° |
| OAA | SAE | NAF | 111.2° | 114.3° |
| OAA | SAE | CB | 107.0° | 107.4° |
| SAG | CAH | HAH3 | 115.3° | 108.0° |
| SAG | CAH | HAH2 | 115.3° | 108.1° |
| CAH | SAG | NAF | 101.9° | 98.7° |
| HAH3 | CAH | HAH2 | 95.1° | 108.2° |
| SAG | NAF | SAE | 123.9° | 110.4° |
| SAG | NAF | HAF | 118.1° | 110.4° |
| SAE | NAF | HAF | 118.1° | 117.1° |
| NAF | SAE | CB | 105.9° | 93.6° |
| SAE | CB | CA | 115.3° | 111.7° |
| SAE | CB | HB3 | 110.1° | 105.9° |
| SAE | CB | HB2 | 110.1° | 107.4° |
| CA | CB | HB3 | 110.1° | 111.0° |
| CA | CB | HB2 | 110.1° | 112.1° |
| CB | CA | HA | 109.0° | 111.7° |
| HB3 | CB | HB2 | 100.1° | 108.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAN | OAQ | CAJ | 179.1° | 177.2° |
| OAO | CAN | CAJ | NAK | 154.4° | 177.2° |
| OAO | CAN | CAJ | CAI | 85.9° | 56.1° |
| OAO | CAN | CAJ | HAJ | 34.5° | 62.6° |
| HAO | OAO | CAN | OAQ | 0.0° | 0.0° |
| HAO | OAO | CAN | CAJ | 179.1° | 177.4° |
| OAQ | CAN | CAJ | NAK | 26.4° | 5.4° |
| OAQ | CAN | CAJ | CAI | 93.3° | 121.3° |
| OAQ | CAN | CAJ | HAJ | 146.3° | 120.0° |
| CAN | CAJ | NAK | CAI | 119.7° | 126.9° |
| CAN | CAJ | NAK | HAJ | 119.9° | 114.9° |
| CAN | CAJ | CAI | HAJ | 120.4° | 116.9° |
| CAN | CAJ | NAK | HAK1 | 15.6° | 131.0° |
| CAN | CAJ | NAK | HAK2 | 93.9° | 62.3° |
| CAN | CAJ | CAI | CAH | 59.4° | 58.1° |
| CAN | CAJ | CAI | HAI3 | 65.9° | 180.0° |
| CAN | CAJ | CAI | HAI2 | 175.3° | 64.0° |
| NAK | CAJ | CAI | HAJ | 120.4° | 116.0° |
| CAJ | NAK | HAK1 | HAK2 | 130.5° | 166.6° |
| NAK | CAJ | CAI | CAH | 178.6° | 68.9° |
| NAK | CAJ | CAI | HAI3 | 53.3° | 52.9° |
| NAK | CAJ | CAI | HAI2 | 56.1° | 168.9° |
| CAI | CAJ | NAK | HAK1 | 104.1° | 102.1° |
| CAI | CAJ | NAK | HAK2 | 146.5° | 64.7° |
| CAJ | CAI | CAH | HAI3 | 125.3° | 121.4° |
| CAJ | CAI | CAH | HAI2 | 125.3° | 121.8° |
| CAJ | CAI | HAI3 | HAI2 | 113.4° | 117.1° |
| CAJ | CAI | CAH | SAG | 81.7° | 179.7° |
| CAJ | CAI | CAH | HAH3 | 43.6° | 60.0° |
| CAJ | CAI | CAH | HAH2 | 153.1° | 60.5° |
| HAJ | CAJ | NAK | HAK1 | 135.5° | 16.1° |
| HAJ | CAJ | NAK | HAK2 | 26.0° | 177.2° |
| HAJ | CAJ | CAI | CAH | 61.0° | 175.1° |
| HAJ | CAJ | CAI | HAI3 | 173.7° | 63.1° |
| HAJ | CAJ | CAI | HAI2 | 64.3° | 52.9° |
| CAH | CAI | HAI3 | HAI2 | 113.4° | 118.5° |
| CAI | CAH | SAG | HAH3 | 125.3° | 121.5° |
| CAI | CAH | SAG | HAH2 | 125.3° | 121.7° |
| CAI | CAH | HAH3 | HAH2 | 121.2° | 122.2° |
| CAI | CAH | SAG | NAF | 174.4° | 180.0° |
| HAI3 | CAI | CAH | SAG | 153.1° | 58.3° |
| HAI3 | CAI | CAH | HAH3 | 81.7° | 61.4° |
| HAI3 | CAI | CAH | HAH2 | 27.8° | 178.2° |
| HAI2 | CAI | CAH | SAG | 43.6° | 58.6° |
| HAI2 | CAI | CAH | HAH3 | 168.9° | 178.2° |
| HAI2 | CAI | CAH | HAH2 | 81.6° | 61.3° |
| O | C | OXT | CA | 84.1° | 178.8° |
| O | C | OXT | HXT | 180.0° | 0.1° |
| O | C | CA | N | 160.5° | 33.9° |
| O | C | CA | CB | 79.0° | 86.1° |
| O | C | CA | HA | 39.0° | 150.0° |
| OXT | C | CA | N | 40.6° | 147.3° |
| OXT | C | CA | CB | 79.8° | 92.7° |
| OXT | C | CA | HA | 162.2° | 31.2° |
| CA | C | OXT | HXT | 96.0° | 178.9° |
| C | CA | N | CB | 119.8° | 120.9° |
| C | CA | N | HA | 121.5° | 117.1° |
| C | CA | N | H | 25.6° | 1.9° |
| C | CA | N | H2 | 135.0° | 164.6° |
| C | CA | CB | SAE | 147.9° | 62.0° |
| C | CA | CB | HA | 118.0° | 122.5° |
| C | CA | CB | HB3 | 22.6° | 180.0° |
| C | CA | CB | HB2 | 86.8° | 58.6° |
| CA | N | H | H2 | 107.5° | 165.8° |
| N | CA | CB | SAE | 88.7° | 179.8° |
| N | CA | CB | HA | 118.6° | 119.7° |
| N | CA | CB | HB3 | 146.0° | 62.2° |
| N | CA | CB | HB2 | 36.6° | 59.2° |
| H | N | CA | CB | 145.4° | 119.0° |
| H | N | CA | HA | 96.0° | 119.0° |
| H2 | N | CA | CB | 105.2° | 74.5° |
| H2 | N | CA | HA | 13.5° | 47.5° |
| OAA | SAE | NAF | SAG | 47.0° | 61.4° |
| OAA | SAE | NAF | CB | 115.9° | 111.0° |
| OAA | SAE | NAF | HAF | 133.0° | 171.0° |
| OAA | SAE | CB | CA | 128.7° | 63.1° |
| OAA | SAE | CB | HB3 | 106.1° | 57.8° |
| OAA | SAE | CB | HB2 | 3.4° | 173.6° |
| SAG | CAH | HAH3 | HAH2 | 121.2° | 116.7° |
| CAH | SAG | NAF | SAE | 101.6° | 168.8° |
| CAH | SAG | NAF | HAF | 78.4° | 60.0° |
| HAH3 | CAH | SAG | NAF | 60.3° | 58.5° |
| HAH2 | CAH | SAG | NAF | 49.2° | 58.3° |
| SAG | NAF | SAE | HAF | 180.0° | 127.6° |
| SAG | NAF | SAE | CB | 68.9° | 172.4° |
| NAF | SAE | CB | CA | 112.6° | 180.0° |
| NAF | SAE | CB | HB3 | 12.6° | 59.1° |
| NAF | SAE | CB | HB2 | 122.1° | 56.7° |
| HAF | NAF | SAE | CB | 111.1° | 60.0° |
| SAE | CB | CA | HB3 | 125.3° | 117.9° |
| SAE | CB | CA | HB2 | 125.3° | 120.6° |
| SAE | CB | HB3 | HB2 | 115.9° | 115.0° |
| SAE | CB | CA | HA | 29.9° | 60.5° |
| CA | CB | HB3 | HB2 | 115.9° | 123.6° |
| HB3 | CB | CA | HA | 95.3° | 57.5° |
| HB2 | CB | CA | HA | 155.2° | 178.9° |
