D17
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | doub | 1.21Å | 1.23Å | |
| CD | OE2 | sing | 1.34Å | 1.27Å | |
| CD | CG | sing | 1.51Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| N | CAU | sing | 1.35Å | 1.33Å | |
| CAU | OBC | doub | 1.21Å | 1.23Å | |
| CAU | CAT | sing | 1.48Å | 1.52Å | |
| CAT | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.51Å | 1.53Å | |
| CAN | NAY | sing | 1.47Å | 1.48Å | |
| NAY | CAA | sing | 1.39Å | 1.34Å | |
| CAA | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAE | doub | 1.37Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAB | CAG | sing | 1.37Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.47Å | 1.40Å | |
| CAH | CAI | doub | 1.36Å | 1.38Å | |
| CAI | SBG | sing | 1.77Å | 1.73Å | |
| CAI | CAK | sing | 1.47Å | 1.42Å | |
| SBG | CAL | sing | 1.77Å | 1.74Å | |
| CAL | SBH | doub | 1.71Å | 1.63Å | |
| CAL | NAX | sing | 1.34Å | 1.35Å | |
| NAX | CAK | sing | 1.32Å | 1.41Å | |
| CAK | OBE | doub | 1.22Å | 1.23Å | |
| 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 | |
| N | H | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAS | HAS | 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 | |
| NAY | HAY | sing | 0.97Å | 1.00Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH1 | 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) |
| OE1 | CD | OE2 | 129.2° | 120.0° |
| OE1 | CD | CG | 110.2° | 120.0° |
| OE2 | CD | CG | 119.8° | 120.0° |
| CD | OE2 | HE2 | 109.5° | 117.0° |
| CD | CG | CB | 114.0° | 109.5° |
| CD | CG | HG1C | 108.0° | 109.4° |
| CD | CG | HG2C | 107.0° | 109.5° |
| CG | CB | CA | 110.2° | 109.5° |
| CB | CG | HG1C | 108.0° | 109.5° |
| CB | CG | HG2C | 107.0° | 109.5° |
| CG | CB | HB1C | 109.2° | 109.5° |
| CG | CB | HB2C | 109.1° | 109.5° |
| CB | CA | C | 108.5° | 109.5° |
| CB | CA | N | 119.5° | 109.5° |
| CA | CB | HB1C | 109.2° | 109.5° |
| CA | CB | HB2C | 109.1° | 109.4° |
| CB | CA | HA | 104.5° | 109.4° |
| C | CA | N | 113.4° | 109.5° |
| CA | C | OXT | 115.0° | 120.0° |
| CA | C | O | 112.0° | 120.0° |
| C | CA | HA | 111.9° | 109.5° |
| CA | N | CAU | 127.9° | 120.0° |
| N | CA | HA | 98.3° | 109.5° |
| CA | N | H | 116.1° | 120.0° |
| OXT | C | O | 127.6° | 120.1° |
| C | OXT | HXT | 109.5° | 116.9° |
| N | CAU | OBC | 126.4° | 120.0° |
| N | CAU | CAT | 113.4° | 120.0° |
| CAU | N | H | 116.0° | 120.0° |
| OBC | CAU | CAT | 119.7° | 120.1° |
| CAU | CAT | CAQ | 119.7° | 120.1° |
| CAU | CAT | CAS | 118.5° | 120.2° |
| CAQ | CAT | CAS | 121.8° | 119.7° |
| CAT | CAQ | CAO | 120.1° | 119.9° |
| CAT | CAQ | HAQ | 119.9° | 120.0° |
| CAT | CAS | CAR | 117.8° | 119.9° |
| CAT | CAS | HAS | 121.1° | 120.0° |
| CAQ | CAO | CAP | 118.0° | 120.1° |
| CAQ | CAO | CAN | 119.9° | 120.0° |
| CAO | CAQ | HAQ | 119.9° | 120.1° |
| CAS | CAR | CAP | 120.4° | 120.1° |
| CAR | CAS | HAS | 121.1° | 120.1° |
| CAS | CAR | HAR | 119.8° | 119.9° |
| CAR | CAP | CAO | 121.9° | 120.3° |
| CAP | CAR | HAR | 119.8° | 119.9° |
| CAR | CAP | HAP | 119.1° | 119.8° |
| CAP | CAO | CAN | 121.9° | 119.9° |
| CAO | CAP | HAP | 119.1° | 119.9° |
| CAO | CAN | NAY | 111.2° | 109.4° |
| CAO | CAN | HAN1 | 108.9° | 109.5° |
| CAO | CAN | HAN2 | 108.6° | 109.4° |
| CAN | NAY | CAA | 123.0° | 120.0° |
| NAY | CAN | HAN1 | 108.9° | 109.5° |
| NAY | CAN | HAN2 | 108.5° | 109.5° |
| CAN | NAY | HAY | 105.2° | 120.0° |
| NAY | CAA | CAC | 121.8° | 119.9° |
| NAY | CAA | CAB | 119.0° | 119.9° |
| CAA | NAY | HAY | 105.2° | 120.0° |
| CAC | CAA | CAB | 119.2° | 120.2° |
| CAA | CAC | CAE | 120.4° | 120.1° |
| CAA | CAC | HAC | 119.8° | 120.0° |
| CAA | CAB | CAG | 119.8° | 120.1° |
| CAA | CAB | HAB | 120.1° | 120.0° |
| CAC | CAE | CAF | 120.5° | 119.9° |
| CAE | CAC | HAC | 119.8° | 119.9° |
| CAC | CAE | HAE | 119.7° | 120.0° |
| CAE | CAF | CAG | 118.5° | 119.8° |
| CAE | CAF | CAH | 119.1° | 120.1° |
| CAF | CAE | HAE | 119.7° | 120.1° |
| CAB | CAG | CAF | 121.1° | 119.9° |
| CAG | CAB | HAB | 120.1° | 119.9° |
| CAB | CAG | HAG | 119.5° | 120.1° |
| CAG | CAF | CAH | 122.3° | 120.1° |
| CAF | CAG | HAG | 119.5° | 120.1° |
| CAF | CAH | CAI | 128.0° | 120.0° |
| CAF | CAH | HAH1 | 116.0° | 120.0° |
| CAH | CAI | SBG | 128.1° | 128.0° |
| CAH | CAI | CAK | 125.5° | 128.0° |
| CAI | CAH | HAH1 | 116.0° | 120.0° |
| SBG | CAI | CAK | 106.4° | 104.1° |
| CAI | SBG | CAL | 95.0° | 94.6° |
| CAI | CAK | NAX | 115.0° | 115.0° |
| CAI | CAK | OBE | 125.4° | 122.5° |
| SBG | CAL | SBH | 125.4° | 126.6° |
| SBG | CAL | NAX | 109.8° | 106.9° |
| SBH | CAL | NAX | 124.8° | 126.6° |
| CAL | NAX | CAK | 113.7° | 119.5° |
| CAL | NAX | HAX | 123.1° | 120.2° |
| NAX | CAK | OBE | 119.6° | 122.5° |
| CAK | NAX | HAX | 123.1° | 120.3° |
| HG1C | CG | HG2C | 113.0° | 109.5° |
| HB1C | CB | HB2C | 110.0° | 109.4° |
| HAN1 | CAN | HAN2 | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | OE2 | CG | 168.5° | 179.7° |
| OE1 | CD | CG | CB | 146.7° | 0.0° |
| OE1 | CD | OE2 | HE2 | 0.0° | 0.0° |
| OE1 | CD | CG | HG1C | 93.3° | 120.0° |
| OE1 | CD | CG | HG2C | 28.6° | 120.0° |
| OE2 | CD | CG | CB | 42.8° | 179.7° |
| OE2 | CD | CG | HG1C | 77.2° | 60.3° |
| OE2 | CD | CG | HG2C | 160.9° | 59.7° |
| CD | CG | CB | HG1C | 120.0° | 120.0° |
| CD | CG | CB | HG2C | 118.0° | 120.0° |
| CD | CG | CB | CA | 127.3° | 180.0° |
| CG | CD | OE2 | HE2 | 168.5° | 179.7° |
| CD | CG | HG1C | HG2C | 118.2° | 120.0° |
| CD | CG | CB | HB1C | 7.3° | 60.0° |
| CD | CG | CB | HB2C | 113.0° | 60.0° |
| CG | CB | CA | HB1C | 120.0° | 120.0° |
| CG | CB | CA | HB2C | 119.7° | 120.0° |
| CG | CB | CA | C | 171.4° | 175.0° |
| CG | CB | CA | N | 56.6° | 65.0° |
| CB | CG | HG1C | HG2C | 118.1° | 120.0° |
| CG | CB | HB1C | HB2C | 119.7° | 120.0° |
| CG | CB | CA | HA | 51.9° | 55.0° |
| CB | CA | C | N | 135.2° | 120.0° |
| CB | CA | C | HA | 114.7° | 119.9° |
| CB | CA | N | HA | 111.9° | 119.9° |
| CB | CA | C | OXT | 13.4° | 60.0° |
| CB | CA | C | O | 142.8° | 120.0° |
| CB | CA | N | CAU | 110.1° | 155.0° |
| CA | CB | CG | HG1C | 112.7° | 60.0° |
| CA | CB | CG | HG2C | 9.2° | 60.0° |
| CA | CB | HB1C | HB2C | 119.7° | 120.0° |
| CB | CA | N | H | 69.9° | 25.0° |
| C | CA | N | HA | 118.2° | 120.0° |
| CA | C | OXT | O | 151.8° | 180.0° |
| C | CA | N | CAU | 19.8° | 85.0° |
| C | CA | CB | HB1C | 51.4° | 54.9° |
| C | CA | CB | HB2C | 68.9° | 65.0° |
| C | CA | N | H | 160.2° | 95.0° |
| CA | C | OXT | HXT | 151.8° | 180.0° |
| N | CA | C | OXT | 121.8° | 180.0° |
| N | CA | C | O | 82.0° | 0.0° |
| CA | N | CAU | H | 180.0° | 180.0° |
| CA | N | CAU | OBC | 21.0° | 0.1° |
| CA | N | CAU | CAT | 167.0° | 180.0° |
| N | CA | CB | HB1C | 176.5° | 175.0° |
| N | CA | CB | HB2C | 63.1° | 55.1° |
| OXT | C | CA | HA | 128.1° | 60.0° |
| O | C | CA | HA | 28.1° | 120.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| N | CAU | OBC | CAT | 171.6° | 180.0° |
| N | CAU | CAT | CAQ | 16.8° | 180.0° |
| N | CAU | CAT | CAS | 164.2° | 0.2° |
| CAU | N | CA | HA | 138.1° | 35.0° |
| OBC | CAU | CAT | CAQ | 155.8° | 0.0° |
| OBC | CAU | CAT | CAS | 23.2° | 179.8° |
| OBC | CAU | N | H | 159.0° | 179.9° |
| CAU | CAT | CAQ | CAS | 179.0° | 179.8° |
| CAU | CAT | CAQ | CAO | 179.1° | 180.0° |
| CAU | CAT | CAS | CAR | 179.6° | 180.0° |
| CAT | CAU | N | H | 13.1° | 0.0° |
| CAU | CAT | CAQ | HAQ | 0.9° | 0.0° |
| CAU | CAT | CAS | HAS | 0.4° | 0.0° |
| CAT | CAQ | CAO | HAQ | 180.0° | 179.9° |
| CAQ | CAT | CAS | CAR | 1.4° | 0.2° |
| CAT | CAQ | CAO | CAP | 0.4° | 0.0° |
| CAT | CAQ | CAO | CAN | 174.5° | 180.0° |
| CAQ | CAT | CAS | HAS | 178.6° | 179.7° |
| CAS | CAT | CAQ | CAO | 1.9° | 0.2° |
| CAT | CAS | CAR | HAS | 180.0° | 179.9° |
| CAT | CAS | CAR | CAP | 0.6° | 0.0° |
| CAS | CAT | CAQ | HAQ | 178.1° | 179.8° |
| CAT | CAS | CAR | HAR | 179.4° | 180.0° |
| CAQ | CAO | CAP | CAR | 1.5° | 0.2° |
| CAQ | CAO | CAP | CAN | 174.8° | 180.0° |
| CAQ | CAO | CAN | NAY | 145.0° | 90.0° |
| CAQ | CAO | CAP | HAP | 178.4° | 180.0° |
| CAQ | CAO | CAN | HAN1 | 25.0° | 150.0° |
| CAQ | CAO | CAN | HAN2 | 95.7° | 30.0° |
| CAS | CAR | CAP | HAR | 180.0° | 180.0° |
| CAS | CAR | CAP | CAO | 2.0° | 0.2° |
| CAS | CAR | CAP | HAP | 177.9° | 180.0° |
| CAR | CAP | CAO | HAP | 180.0° | 179.8° |
| CAR | CAP | CAO | CAN | 176.3° | 179.8° |
| CAP | CAR | CAS | HAS | 179.4° | 180.0° |
| CAP | CAO | CAN | NAY | 40.4° | 90.0° |
| CAP | CAO | CAQ | HAQ | 179.6° | 180.0° |
| CAO | CAP | CAR | HAR | 178.0° | 179.8° |
| CAP | CAO | CAN | HAN1 | 160.3° | 30.0° |
| CAP | CAO | CAN | HAN2 | 78.9° | 150.0° |
| CAO | CAN | NAY | HAN1 | 120.0° | 120.0° |
| CAO | CAN | NAY | HAN2 | 119.3° | 119.9° |
| CAO | CAN | NAY | CAA | 60.3° | 180.0° |
| CAN | CAO | CAQ | HAQ | 5.6° | 0.1° |
| CAN | CAO | CAP | HAP | 3.7° | 0.0° |
| CAO | CAN | HAN1 | HAN2 | 119.4° | 120.0° |
| CAO | CAN | NAY | HAY | 179.7° | 0.1° |
| CAN | NAY | CAA | HAY | 120.0° | 179.9° |
| CAN | NAY | CAA | CAC | 6.9° | 180.0° |
| CAN | NAY | CAA | CAB | 174.0° | 0.2° |
| NAY | CAN | HAN1 | HAN2 | 119.3° | 120.0° |
| NAY | CAA | CAC | CAB | 179.1° | 179.8° |
| NAY | CAA | CAC | CAE | 177.3° | 180.0° |
| NAY | CAA | CAB | CAG | 179.7° | 180.0° |
| CAA | NAY | CAN | HAN1 | 59.7° | 60.0° |
| CAA | NAY | CAN | HAN2 | 179.7° | 60.1° |
| NAY | CAA | CAC | HAC | 2.7° | 0.1° |
| NAY | CAA | CAB | HAB | 0.3° | 0.0° |
| CAA | CAC | CAE | HAC | 180.0° | 179.9° |
| CAA | CAC | CAE | CAF | 1.2° | 0.1° |
| CAC | CAA | CAB | CAG | 0.6° | 0.2° |
| CAC | CAA | NAY | HAY | 113.1° | 0.1° |
| CAC | CAA | CAB | HAB | 179.4° | 179.8° |
| CAA | CAC | CAE | HAE | 178.8° | 180.0° |
| CAB | CAA | CAC | CAE | 3.7° | 0.2° |
| CAA | CAB | CAG | HAB | 180.0° | 179.9° |
| CAA | CAB | CAG | CAF | 5.1° | 0.1° |
| CAB | CAA | NAY | HAY | 66.0° | 179.7° |
| CAB | CAA | CAC | HAC | 176.3° | 179.7° |
| CAA | CAB | CAG | HAG | 174.9° | 180.0° |
| CAC | CAE | CAF | HAE | 180.0° | 179.9° |
| CAC | CAE | CAF | CAG | 4.4° | 0.4° |
| CAC | CAE | CAF | CAH | 178.3° | 179.9° |
| CAE | CAF | CAG | CAB | 7.6° | 0.4° |
| CAE | CAF | CAG | CAH | 177.2° | 179.7° |
| CAE | CAF | CAH | CAI | 157.8° | 159.0° |
| CAF | CAE | CAC | HAC | 178.8° | 180.0° |
| CAE | CAF | CAG | HAG | 172.4° | 179.8° |
| CAE | CAF | CAH | HAH1 | 22.2° | 21.1° |
| CAB | CAG | CAF | HAG | 180.0° | 179.9° |
| CAB | CAG | CAF | CAH | 175.2° | 179.9° |
| CAG | CAF | CAH | CAI | 25.0° | 21.3° |
| CAF | CAG | CAB | HAB | 174.9° | 180.0° |
| CAG | CAF | CAE | HAE | 175.6° | 179.7° |
| CAG | CAF | CAH | HAH1 | 155.0° | 158.6° |
| CAF | CAH | CAI | HAH1 | 180.0° | 179.9° |
| CAF | CAH | CAI | SBG | 7.5° | 7.6° |
| CAF | CAH | CAI | CAK | 172.2° | 172.8° |
| CAH | CAF | CAE | HAE | 1.7° | 0.0° |
| CAH | CAF | CAG | HAG | 4.8° | 0.0° |
| CAH | CAI | SBG | CAK | 179.8° | 179.7° |
| CAH | CAI | SBG | CAL | 178.6° | 180.0° |
| CAH | CAI | CAK | NAX | 178.3° | 179.8° |
| CAH | CAI | CAK | OBE | 1.8° | 0.0° |
| CAI | SBG | CAL | SBH | 178.6° | 180.0° |
| CAI | SBG | CAL | NAX | 1.0° | 0.0° |
| SBG | CAI | CAK | NAX | 1.9° | 0.5° |
| SBG | CAI | CAK | OBE | 178.0° | 179.7° |
| SBG | CAI | CAH | HAH1 | 172.5° | 172.4° |
| CAK | CAI | SBG | CAL | 1.6° | 0.3° |
| CAI | CAK | NAX | CAL | 1.3° | 0.6° |
| CAI | CAK | NAX | OBE | 179.9° | 179.8° |
| CAK | CAI | CAH | HAH1 | 7.8° | 7.2° |
| CAI | CAK | NAX | HAX | 178.7° | 179.7° |
| SBG | CAL | SBH | NAX | 179.6° | 179.9° |
| SBG | CAL | NAX | CAK | 0.0° | 0.3° |
| SBG | CAL | NAX | HAX | 180.0° | 180.0° |
| SBH | CAL | NAX | CAK | 179.6° | 179.6° |
| SBH | CAL | NAX | HAX | 0.4° | 0.1° |
| CAL | NAX | CAK | HAX | 180.0° | 179.7° |
| CAL | NAX | CAK | OBE | 178.6° | 179.7° |
| OBE | CAK | NAX | HAX | 1.4° | 0.1° |
| HG1C | CG | CB | HB1C | 127.3° | 179.9° |
| HG1C | CG | CB | HB2C | 7.0° | 60.0° |
| HG2C | CG | CB | HB1C | 110.8° | 60.0° |
| HG2C | CG | CB | HB2C | 128.9° | 180.0° |
| HB1C | CB | CA | HA | 68.1° | 65.0° |
| HB2C | CB | CA | HA | 171.6° | 175.0° |
| HA | CA | N | H | 41.9° | 144.9° |
| HAS | CAS | CAR | HAR | 0.6° | 0.1° |
| HAR | CAR | CAP | HAP | 2.1° | 0.0° |
| HAN1 | CAN | NAY | HAY | 60.3° | 119.9° |
| HAN2 | CAN | NAY | HAY | 60.3° | 120.0° |
| HAC | CAC | CAE | HAE | 1.2° | 0.1° |
| HAB | CAB | CAG | HAG | 5.1° | 0.1° |
