N21
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE2 | CD | sing | 1.34Å | 1.25Å | |
| CD | OE1 | doub | 1.21Å | 1.26Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | SAU | sing | 1.66Å | 1.53Å | |
| OBC | SAU | doub | 1.42Å | 1.43Å | |
| CAT | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | SAU | sing | 1.76Å | 1.61Å | |
| CAR | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.51Å | 1.52Å | |
| CAN | OAY | sing | 1.43Å | 1.43Å | |
| CAA | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAA | OAY | sing | 1.36Å | 1.38Å | |
| CAB | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.47Å | 1.51Å | |
| CAH | CAI | doub | 1.36Å | 1.53Å | |
| SBG | CAL | sing | 1.77Å | 1.75Å | |
| SBG | CAI | sing | 1.77Å | 1.76Å | |
| CAL | NAX | sing | 1.34Å | 1.34Å | |
| CAL | OBH | doub | 1.22Å | 1.47Å | |
| NAX | CAK | sing | 1.32Å | 1.34Å | |
| CAK | CAI | sing | 1.47Å | 1.38Å | |
| CAK | OBE | doub | 1.22Å | 1.48Å | |
| SAU | OBD | doub | 1.42Å | 1.43Å | |
| OE2 | HE2 | sing | 0.97Å | 0.95Å | |
| CG | HG1C | sing | 1.09Å | 1.10Å | |
| CG | HG2C | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAX | HAX | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE2 | CD | OE1 | 122.2° | 120.0° |
| OE2 | CD | CG | 115.9° | 120.0° |
| CD | OE2 | HE2 | 109.5° | 117.0° |
| OE1 | CD | CG | 121.9° | 120.0° |
| CD | CG | CB | 114.6° | 109.5° |
| CD | CG | HG1C | 107.8° | 109.4° |
| CD | CG | HG2C | 106.6° | 109.5° |
| CG | CB | CA | 109.7° | 109.5° |
| CB | CG | HG1C | 107.8° | 109.5° |
| CB | CG | HG2C | 106.6° | 109.5° |
| CG | CB | HB1C | 109.4° | 109.4° |
| CG | CB | HB2C | 109.3° | 109.5° |
| CB | CA | C | 110.7° | 109.5° |
| CB | CA | N | 104.6° | 109.5° |
| CA | CB | HB1C | 109.3° | 109.5° |
| CA | CB | HB2C | 109.3° | 109.4° |
| CB | CA | HA | 112.9° | 109.5° |
| OXT | C | O | 122.4° | 120.0° |
| OXT | C | CA | 120.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O | C | CA | 117.6° | 120.0° |
| C | CA | N | 112.4° | 109.5° |
| C | CA | HA | 105.1° | 109.5° |
| CA | N | SAU | 121.3° | 120.0° |
| N | CA | HA | 111.3° | 109.5° |
| CA | N | H | 105.7° | 120.0° |
| N | SAU | OBC | 109.1° | 106.4° |
| N | SAU | CAS | 106.7° | 107.2° |
| N | SAU | OBD | 109.7° | 106.4° |
| SAU | N | H | 105.7° | 120.0° |
| OBC | SAU | CAS | 108.9° | 106.4° |
| OBC | SAU | OBD | 111.1° | 123.1° |
| CAQ | CAT | CAS | 120.1° | 120.0° |
| CAT | CAQ | CAO | 120.3° | 120.0° |
| CAQ | CAT | HAT | 120.0° | 120.0° |
| CAT | CAQ | HAQ | 119.9° | 120.0° |
| CAT | CAS | CAR | 119.5° | 120.0° |
| CAT | CAS | SAU | 121.7° | 120.1° |
| CAS | CAT | HAT | 120.0° | 120.0° |
| CAQ | CAO | CAP | 119.5° | 120.0° |
| CAQ | CAO | CAN | 121.7° | 120.0° |
| CAO | CAQ | HAQ | 119.9° | 119.9° |
| CAR | CAS | SAU | 118.8° | 120.0° |
| CAS | CAR | CAP | 120.4° | 120.0° |
| CAS | CAR | HAR | 119.8° | 120.0° |
| CAS | SAU | OBD | 111.2° | 106.4° |
| CAR | CAP | CAO | 120.3° | 120.0° |
| CAP | CAR | HAR | 119.8° | 120.0° |
| CAR | CAP | HAP | 119.9° | 120.0° |
| CAP | CAO | CAN | 118.8° | 120.0° |
| CAO | CAP | HAP | 119.8° | 120.0° |
| CAO | CAN | OAY | 113.8° | 109.5° |
| CAO | CAN | HAN1 | 108.1° | 109.5° |
| CAO | CAN | HAN2 | 107.1° | 109.5° |
| CAN | OAY | CAA | 122.2° | 117.0° |
| OAY | CAN | HAN1 | 108.1° | 109.5° |
| OAY | CAN | HAN2 | 107.1° | 109.5° |
| CAB | CAA | CAC | 119.4° | 120.3° |
| CAB | CAA | OAY | 120.1° | 119.9° |
| CAA | CAB | CAG | 120.9° | 120.1° |
| CAA | CAB | HAB | 119.6° | 119.9° |
| CAC | CAA | OAY | 120.5° | 119.8° |
| CAA | CAC | CAE | 119.8° | 120.1° |
| CAA | CAC | HAC | 120.1° | 120.0° |
| CAB | CAG | CAF | 119.7° | 119.9° |
| CAG | CAB | HAB | 119.5° | 120.0° |
| CAB | CAG | HAG | 120.2° | 120.0° |
| CAG | CAF | CAE | 119.7° | 119.8° |
| CAG | CAF | CAH | 116.7° | 120.1° |
| CAF | CAG | HAG | 120.1° | 120.1° |
| CAC | CAE | CAF | 120.5° | 119.9° |
| CAE | CAC | HAC | 120.1° | 120.0° |
| CAC | CAE | HAE | 119.7° | 120.0° |
| CAE | CAF | CAH | 123.6° | 120.1° |
| CAF | CAE | HAE | 119.7° | 120.0° |
| CAF | CAH | CAI | 121.2° | 120.0° |
| CAF | CAH | HAH | 119.5° | 120.0° |
| CAH | CAI | SBG | 124.5° | 128.0° |
| CAH | CAI | CAK | 125.5° | 128.0° |
| CAI | CAH | HAH | 119.4° | 120.0° |
| CAL | SBG | CAI | 85.4° | 94.6° |
| SBG | CAL | NAX | 119.7° | 106.9° |
| SBG | CAL | OBH | 121.9° | 126.5° |
| SBG | CAI | CAK | 110.0° | 104.1° |
| NAX | CAL | OBH | 118.4° | 126.6° |
| CAL | NAX | CAK | 106.0° | 119.5° |
| CAL | NAX | HAX | 127.0° | 120.3° |
| NAX | CAK | CAI | 118.9° | 115.0° |
| NAX | CAK | OBE | 121.6° | 122.6° |
| CAK | NAX | HAX | 127.0° | 120.2° |
| CAI | CAK | OBE | 119.5° | 122.5° |
| HG1C | CG | HG2C | 113.6° | 109.4° |
| HB1C | CB | HB2C | 109.7° | 109.5° |
| HAN1 | CAN | HAN2 | 112.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE2 | CD | OE1 | CG | 179.7° | 179.6° |
| OE2 | CD | CG | CB | 174.6° | 179.7° |
| OE2 | CD | CG | HG1C | 54.6° | 60.3° |
| OE2 | CD | CG | HG2C | 67.7° | 59.6° |
| OE1 | CD | CG | CB | 5.7° | 0.1° |
| OE1 | CD | OE2 | HE2 | 0.0° | 0.1° |
| OE1 | CD | CG | HG1C | 125.6° | 120.1° |
| OE1 | CD | CG | HG2C | 112.1° | 120.0° |
| CD | CG | CB | HG1C | 120.0° | 120.0° |
| CD | CG | CB | HG2C | 117.7° | 120.1° |
| CD | CG | CB | CA | 166.1° | 180.0° |
| CG | CD | OE2 | HE2 | 179.7° | 179.7° |
| CD | CG | HG1C | HG2C | 117.9° | 120.0° |
| CD | CG | CB | HB1C | 46.1° | 60.1° |
| CD | CG | CB | HB2C | 74.1° | 60.0° |
| CG | CB | CA | HB1C | 120.0° | 120.0° |
| CG | CB | CA | HB2C | 119.9° | 120.0° |
| CG | CB | CA | C | 59.3° | 175.0° |
| CG | CB | CA | N | 179.4° | 65.0° |
| CB | CG | HG1C | HG2C | 117.9° | 120.0° |
| CG | CB | HB1C | HB2C | 119.9° | 120.0° |
| CG | CB | CA | HA | 58.3° | 55.0° |
| CB | CA | C | OXT | 98.8° | 60.0° |
| CB | CA | C | O | 81.4° | 120.0° |
| CB | CA | C | N | 116.5° | 120.0° |
| CB | CA | C | HA | 122.2° | 120.0° |
| CB | CA | N | HA | 122.2° | 120.0° |
| CB | CA | N | SAU | 144.7° | 145.0° |
| CA | CB | CG | HG1C | 74.0° | 60.0° |
| CA | CB | CG | HG2C | 48.4° | 60.0° |
| CA | CB | HB1C | HB2C | 119.9° | 120.0° |
| CB | CA | N | H | 24.7° | 35.0° |
| OXT | C | O | CA | 179.8° | 180.0° |
| OXT | C | CA | N | 144.7° | 180.0° |
| OXT | C | CA | HA | 23.5° | 60.0° |
| O | C | CA | N | 35.1° | 0.0° |
| O | C | CA | HA | 156.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | HA | 117.6° | 120.0° |
| C | CA | N | SAU | 95.1° | 95.0° |
| C | CA | CB | HB1C | 179.3° | 65.0° |
| C | CA | CB | HB2C | 60.6° | 55.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| C | CA | N | H | 144.9° | 85.0° |
| CA | N | SAU | H | 120.0° | 180.0° |
| CA | N | SAU | OBC | 121.3° | 48.6° |
| CA | N | SAU | CAS | 121.2° | 65.0° |
| CA | N | SAU | OBD | 0.6° | 178.5° |
| N | CA | CB | HB1C | 59.4° | 55.0° |
| N | CA | CB | HB2C | 60.7° | 175.0° |
| N | SAU | OBC | CAS | 116.1° | 114.1° |
| N | SAU | OBC | OBD | 121.1° | 123.0° |
| N | SAU | CAS | CAT | 139.4° | 90.0° |
| N | SAU | CAS | CAR | 39.1° | 90.1° |
| N | SAU | CAS | OBD | 119.6° | 113.5° |
| SAU | N | CA | HA | 22.5° | 25.0° |
| OBC | SAU | CAS | CAT | 21.8° | 156.4° |
| OBC | SAU | CAS | CAR | 156.7° | 23.5° |
| OBC | SAU | CAS | OBD | 122.8° | 132.9° |
| OBC | SAU | N | H | 118.7° | 131.4° |
| CAQ | CAT | CAS | HAT | 180.0° | 179.8° |
| CAT | CAQ | CAO | HAQ | 180.0° | 179.9° |
| CAQ | CAT | CAS | CAR | 0.4° | 0.1° |
| CAQ | CAT | CAS | SAU | 178.8° | 179.9° |
| CAT | CAQ | CAO | CAP | 0.3° | 0.1° |
| CAT | CAQ | CAO | CAN | 179.8° | 179.9° |
| CAS | CAT | CAQ | CAO | 0.1° | 0.1° |
| CAT | CAS | CAR | SAU | 178.5° | 180.0° |
| CAT | CAS | CAR | CAP | 0.3° | 0.1° |
| CAT | CAS | SAU | OBD | 101.0° | 23.5° |
| CAS | CAT | CAQ | HAQ | 179.9° | 180.0° |
| CAT | CAS | CAR | HAR | 179.8° | 180.0° |
| CAQ | CAO | CAP | CAR | 0.4° | 0.1° |
| CAQ | CAO | CAP | CAN | 179.5° | 179.8° |
| CAQ | CAO | CAN | OAY | 54.2° | 90.0° |
| CAO | CAQ | CAT | HAT | 179.9° | 179.7° |
| CAQ | CAO | CAP | HAP | 179.6° | 180.0° |
| CAQ | CAO | CAN | HAN1 | 174.2° | 150.0° |
| CAQ | CAO | CAN | HAN2 | 63.9° | 30.0° |
| CAS | CAR | CAP | HAR | 180.0° | 180.0° |
| CAS | CAR | CAP | CAO | 0.1° | 0.1° |
| CAR | CAS | SAU | OBD | 80.5° | 156.4° |
| CAR | CAS | CAT | HAT | 179.6° | 179.7° |
| CAS | CAR | CAP | HAP | 179.9° | 179.9° |
| SAU | CAS | CAR | CAP | 178.8° | 180.0° |
| CAS | SAU | N | H | 1.2° | 115.0° |
| SAU | CAS | CAT | HAT | 1.1° | 0.3° |
| SAU | CAS | CAR | HAR | 1.2° | 0.0° |
| CAR | CAP | CAO | HAP | 180.0° | 179.9° |
| CAR | CAP | CAO | CAN | 179.9° | 179.9° |
| CAP | CAO | CAN | OAY | 126.2° | 90.2° |
| CAP | CAO | CAQ | HAQ | 179.8° | 180.0° |
| CAO | CAP | CAR | HAR | 179.9° | 180.0° |
| CAP | CAO | CAN | HAN1 | 6.3° | 29.9° |
| CAP | CAO | CAN | HAN2 | 115.6° | 149.8° |
| CAO | CAN | OAY | HAN1 | 120.0° | 120.1° |
| CAO | CAN | OAY | HAN2 | 118.1° | 120.0° |
| CAO | CAN | OAY | CAA | 59.7° | 180.0° |
| CAN | CAO | CAQ | HAQ | 0.2° | 0.1° |
| CAN | CAO | CAP | HAP | 0.1° | 0.2° |
| CAO | CAN | HAN1 | HAN2 | 118.2° | 120.0° |
| CAN | OAY | CAA | CAB | 34.8° | 180.0° |
| CAN | OAY | CAA | CAC | 145.7° | 0.3° |
| OAY | CAN | HAN1 | HAN2 | 118.2° | 120.0° |
| CAB | CAA | CAC | OAY | 179.5° | 179.7° |
| CAA | CAB | CAG | HAB | 180.0° | 180.0° |
| CAA | CAB | CAG | CAF | 1.0° | 0.0° |
| CAB | CAA | CAC | CAE | 0.1° | 0.0° |
| CAB | CAA | CAC | HAC | 179.9° | 180.0° |
| CAA | CAB | CAG | HAG | 179.0° | 179.9° |
| CAC | CAA | CAB | CAG | 0.3° | 0.0° |
| CAA | CAC | CAE | HAC | 180.0° | 179.9° |
| CAA | CAC | CAE | CAF | 0.6° | 0.0° |
| CAC | CAA | CAB | HAB | 179.7° | 179.9° |
| CAA | CAC | CAE | HAE | 179.4° | 180.0° |
| OAY | CAA | CAB | CAG | 179.8° | 179.7° |
| OAY | CAA | CAC | CAE | 179.6° | 179.7° |
| CAA | OAY | CAN | HAN1 | 60.3° | 60.0° |
| CAA | OAY | CAN | HAN2 | 177.8° | 60.0° |
| OAY | CAA | CAB | HAB | 0.2° | 0.3° |
| OAY | CAA | CAC | HAC | 0.4° | 0.4° |
| CAB | CAG | CAF | HAG | 180.0° | 180.0° |
| CAB | CAG | CAF | CAE | 1.4° | 0.0° |
| CAB | CAG | CAF | CAH | 179.9° | 180.0° |
| CAG | CAF | CAE | CAC | 1.2° | 0.0° |
| CAG | CAF | CAE | CAH | 178.4° | 179.9° |
| CAG | CAF | CAH | CAI | 145.3° | 21.4° |
| CAF | CAG | CAB | HAB | 179.0° | 179.9° |
| CAG | CAF | CAE | HAE | 178.8° | 180.0° |
| CAG | CAF | CAH | HAH | 34.8° | 158.7° |
| CAC | CAE | CAF | HAE | 180.0° | 180.0° |
| CAC | CAE | CAF | CAH | 179.6° | 179.9° |
| CAE | CAF | CAH | CAI | 36.3° | 158.7° |
| CAF | CAE | CAC | HAC | 179.4° | 179.9° |
| CAE | CAF | CAG | HAG | 178.6° | 180.0° |
| CAE | CAF | CAH | HAH | 143.6° | 21.3° |
| CAF | CAH | CAI | HAH | 180.0° | 180.0° |
| CAF | CAH | CAI | SBG | 3.6° | 7.6° |
| CAF | CAH | CAI | CAK | 176.8° | 172.5° |
| CAH | CAF | CAG | HAG | 0.1° | 0.0° |
| CAH | CAF | CAE | HAE | 0.4° | 0.1° |
| CAH | CAI | SBG | CAL | 179.8° | 180.0° |
| CAH | CAI | SBG | CAK | 179.7° | 180.0° |
| CAH | CAI | CAK | NAX | 179.7° | 180.0° |
| CAH | CAI | CAK | OBE | 0.1° | 0.0° |
| SBG | CAL | NAX | OBH | 179.3° | 180.0° |
| SBG | CAL | NAX | CAK | 0.3° | 0.0° |
| CAL | SBG | CAI | CAK | 0.2° | 0.0° |
| SBG | CAL | NAX | HAX | 179.7° | 180.0° |
| CAI | SBG | CAL | NAX | 0.3° | 0.0° |
| CAI | SBG | CAL | OBH | 179.0° | 180.0° |
| SBG | CAI | CAK | NAX | 0.1° | 0.0° |
| SBG | CAI | CAK | OBE | 179.7° | 180.0° |
| SBG | CAI | CAH | HAH | 176.4° | 172.4° |
| CAL | NAX | CAK | HAX | 180.0° | 179.9° |
| CAL | NAX | CAK | CAI | 0.1° | 0.0° |
| CAL | NAX | CAK | OBE | 179.9° | 180.0° |
| OBH | CAL | NAX | CAK | 179.0° | 180.0° |
| OBH | CAL | NAX | HAX | 1.0° | 0.0° |
| NAX | CAK | CAI | OBE | 179.8° | 180.0° |
| CAK | CAI | CAH | HAH | 3.2° | 7.6° |
| CAI | CAK | NAX | HAX | 179.9° | 179.9° |
| OBE | CAK | NAX | HAX | 0.1° | 0.1° |
| OBD | SAU | N | H | 119.4° | 1.5° |
| HG1C | CG | CB | HB1C | 166.1° | 180.0° |
| HG1C | CG | CB | HB2C | 45.9° | 60.0° |
| HG2C | CG | CB | HB1C | 71.6° | 60.0° |
| HG2C | CG | CB | HB2C | 168.2° | 179.9° |
| HB1C | CB | CA | HA | 61.7° | 175.0° |
| HB2C | CB | CA | HA | 178.1° | 65.0° |
| HA | CA | N | H | 97.5° | 155.0° |
| HAT | CAT | CAQ | HAQ | 0.2° | 0.2° |
| HAR | CAR | CAP | HAP | 0.1° | 0.1° |
| HAB | CAB | CAG | HAG | 1.0° | 0.1° |
| HAC | CAC | CAE | HAE | 0.6° | 0.1° |
