T04
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | sing | 1.34Å | 1.27Å | |
| CD | OE2 | doub | 1.21Å | 1.23Å | |
| CD | CG | sing | 1.51Å | 1.47Å | |
| CG | CB | sing | 1.53Å | 1.30Å | |
| CB | CA | sing | 1.53Å | 1.47Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.46Å | |
| N | CAU | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.27Å | |
| CAU | OBC | doub | 1.22Å | 1.22Å | |
| CAU | CAT | sing | 1.48Å | 1.50Å | |
| CAT | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | FAS | sing | 1.35Å | 1.36Å | |
| CAR | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.51Å | 1.47Å | |
| CAN | NAY | sing | 1.46Å | 1.40Å | |
| NAY | CAA | sing | 1.39Å | 1.38Å | |
| CAA | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAE | doub | 1.37Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAB | CAG | sing | 1.37Å | 1.38Å | Aromatic |
| CAG | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.47Å | 1.47Å | |
| CAH | CAI | doub | 1.36Å | 1.48Å | |
| CAI | SBG | sing | 1.77Å | 1.74Å | |
| CAI | CAK | sing | 1.47Å | 1.39Å | |
| SBG | CAL | sing | 1.77Å | 1.73Å | |
| CAL | SBH | doub | 1.71Å | 1.74Å | |
| CAL | NAX | sing | 1.34Å | 1.34Å | |
| NAX | CAK | sing | 1.32Å | 1.36Å | |
| CAK | OBE | doub | 1.22Å | 1.29Å | |
| OE1 | HE1 | sing | 0.97Å | 0.95Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| 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 | |
| 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 | HAH | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| NAX | HAX | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | CD | OE2 | 126.4° | 120.0° |
| OE1 | CD | CG | 119.7° | 120.0° |
| CD | OE1 | HE1 | 109.5° | 117.0° |
| OE2 | CD | CG | 113.7° | 120.0° |
| CD | CG | CB | 117.9° | 109.5° |
| CD | CG | HG1 | 106.7° | 109.5° |
| CD | CG | HG2 | 104.8° | 109.5° |
| CG | CB | CA | 119.4° | 109.5° |
| CB | CG | HG1 | 106.7° | 109.5° |
| CG | CB | HB1 | 106.3° | 109.4° |
| CB | CG | HG2 | 104.8° | 109.5° |
| CG | CB | HB2 | 104.0° | 109.5° |
| CB | CA | C | 122.2° | 109.4° |
| CB | CA | N | 113.4° | 109.5° |
| CA | CB | HB1 | 106.3° | 109.5° |
| CA | CB | HB2 | 103.9° | 109.5° |
| CB | CA | HA | 114.1° | 109.5° |
| OXT | C | O | 123.1° | 120.0° |
| OXT | C | CA | 124.4° | 120.0° |
| C | OXT | HXT | 109.5° | 116.9° |
| O | C | CA | 112.5° | 120.0° |
| C | CA | N | 123.7° | 109.4° |
| C | CA | HA | 59.0° | 109.5° |
| CAU | N | CA | 127.7° | 120.0° |
| N | CAU | OBC | 123.0° | 120.0° |
| N | CAU | CAT | 113.4° | 120.0° |
| CAU | N | H | 116.2° | 120.0° |
| CA | N | H | 116.1° | 120.0° |
| N | CA | HA | 106.2° | 109.5° |
| OBC | CAU | CAT | 123.4° | 120.0° |
| CAU | CAT | CAQ | 115.5° | 120.2° |
| CAU | CAT | CAS | 124.5° | 120.2° |
| CAQ | CAT | CAS | 120.0° | 119.7° |
| CAT | CAQ | CAO | 119.4° | 119.9° |
| CAT | CAQ | HAQ | 120.3° | 120.1° |
| CAT | CAS | CAR | 119.7° | 119.8° |
| CAT | CAS | FAS | 123.2° | 120.1° |
| CAQ | CAO | CAP | 120.4° | 120.2° |
| CAQ | CAO | CAN | 121.4° | 119.9° |
| CAO | CAQ | HAQ | 120.3° | 120.0° |
| CAR | CAS | FAS | 117.2° | 120.1° |
| CAS | CAR | CAP | 120.7° | 120.1° |
| CAS | CAR | HAR | 119.7° | 120.0° |
| CAR | CAP | CAO | 119.9° | 120.3° |
| CAP | CAR | HAR | 119.7° | 119.9° |
| CAR | CAP | HAP | 120.0° | 119.8° |
| CAP | CAO | CAN | 118.1° | 119.8° |
| CAO | CAP | HAP | 120.1° | 119.8° |
| CAO | CAN | NAY | 119.3° | 109.5° |
| CAO | CAN | HAN1 | 106.3° | 109.5° |
| CAO | CAN | HAN2 | 104.0° | 109.4° |
| CAN | NAY | CAA | 117.1° | 120.0° |
| NAY | CAN | HAN1 | 106.3° | 109.5° |
| NAY | CAN | HAN2 | 104.1° | 109.5° |
| CAN | NAY | HAY | 107.0° | 120.0° |
| NAY | CAA | CAC | 120.2° | 119.9° |
| NAY | CAA | CAB | 118.6° | 119.9° |
| CAA | NAY | HAY | 107.0° | 120.0° |
| CAC | CAA | CAB | 121.3° | 120.2° |
| CAA | CAC | CAE | 119.2° | 120.1° |
| CAA | CAC | HAC | 120.4° | 119.9° |
| CAA | CAB | CAG | 119.8° | 120.1° |
| CAA | CAB | HAB | 120.1° | 120.0° |
| CAC | CAE | CAF | 119.1° | 119.9° |
| CAE | CAC | HAC | 120.4° | 120.0° |
| CAC | CAE | HAE | 120.4° | 120.0° |
| CAE | CAF | CAG | 121.1° | 119.8° |
| CAE | CAF | CAH | 115.1° | 120.1° |
| CAF | CAE | HAE | 120.4° | 120.1° |
| CAB | CAG | CAF | 119.4° | 119.9° |
| CAG | CAB | HAB | 120.0° | 119.9° |
| CAB | CAG | HAG | 120.3° | 120.0° |
| CAG | CAF | CAH | 123.5° | 120.1° |
| CAF | CAG | HAG | 120.3° | 120.1° |
| CAF | CAH | CAI | 126.0° | 120.0° |
| CAF | CAH | HAH | 117.0° | 120.0° |
| CAH | CAI | SBG | 124.8° | 128.0° |
| CAH | CAI | CAK | 125.3° | 127.9° |
| CAI | CAH | HAH | 117.0° | 120.0° |
| SBG | CAI | CAK | 109.9° | 104.1° |
| CAI | SBG | CAL | 87.0° | 94.6° |
| CAI | CAK | NAX | 117.6° | 114.9° |
| CAI | CAK | OBE | 122.6° | 122.5° |
| SBG | CAL | SBH | 120.4° | 126.6° |
| SBG | CAL | NAX | 118.8° | 106.9° |
| SBH | CAL | NAX | 120.8° | 126.5° |
| CAL | NAX | CAK | 106.7° | 119.5° |
| CAL | NAX | HAX | 126.6° | 120.3° |
| NAX | CAK | OBE | 119.7° | 122.6° |
| CAK | NAX | HAX | 126.7° | 120.2° |
| HG1 | CG | HG2 | 116.4° | 109.5° |
| HB1 | CB | HB2 | 117.6° | 109.5° |
| HAN1 | CAN | HAN2 | 117.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | OE2 | CG | 174.6° | 180.0° |
| OE1 | CD | CG | CB | 20.5° | 180.0° |
| OE1 | CD | CG | HG1 | 140.5° | 60.0° |
| OE1 | CD | CG | HG2 | 95.5° | 60.0° |
| OE2 | CD | CG | CB | 164.5° | 0.0° |
| OE2 | CD | OE1 | HE1 | 0.0° | 0.0° |
| OE2 | CD | CG | HG1 | 44.5° | 120.0° |
| OE2 | CD | CG | HG2 | 79.5° | 120.0° |
| CD | CG | CB | HG1 | 120.0° | 120.0° |
| CD | CG | CB | HG2 | 116.0° | 120.0° |
| CD | CG | CB | CA | 177.9° | 180.0° |
| CG | CD | OE1 | HE1 | 174.3° | 180.0° |
| CD | CG | HG1 | HG2 | 116.5° | 120.0° |
| CD | CG | CB | HB1 | 57.9° | 60.0° |
| CD | CG | CB | HB2 | 66.9° | 60.0° |
| CG | CB | CA | HB1 | 120.0° | 119.9° |
| CG | CB | CA | HB2 | 115.2° | 120.0° |
| CG | CB | CA | C | 56.5° | 175.0° |
| CG | CB | CA | N | 132.6° | 65.0° |
| CB | CG | HG1 | HG2 | 116.5° | 120.0° |
| CG | CB | HB1 | HB2 | 115.9° | 120.0° |
| CG | CB | CA | HA | 10.9° | 55.0° |
| CB | CA | C | OXT | 76.4° | 60.0° |
| CB | CA | C | O | 101.7° | 120.0° |
| CB | CA | C | N | 170.0° | 120.0° |
| CB | CA | C | HA | 100.6° | 120.0° |
| CB | CA | N | CAU | 179.0° | 155.0° |
| CB | CA | N | HA | 126.0° | 120.1° |
| CA | CB | CG | HG1 | 62.1° | 60.0° |
| CA | CB | HB1 | HB2 | 115.9° | 120.0° |
| CA | CB | CG | HG2 | 61.9° | 60.0° |
| CB | CA | N | H | 1.0° | 25.0° |
| OXT | C | O | CA | 178.1° | 179.9° |
| OXT | C | CA | N | 113.7° | 180.0° |
| OXT | C | CA | HA | 24.3° | 60.0° |
| O | C | CA | N | 68.2° | 0.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| O | C | CA | HA | 157.6° | 120.0° |
| C | CA | N | CAU | 8.3° | 85.0° |
| C | CA | N | HA | 63.2° | 120.0° |
| C | CA | CB | HB1 | 176.5° | 65.0° |
| C | CA | CB | HB2 | 58.7° | 55.0° |
| CA | C | OXT | HXT | 177.9° | 180.0° |
| C | CA | N | H | 171.7° | 95.0° |
| CAU | N | CA | H | 180.0° | 180.0° |
| N | CAU | OBC | CAT | 174.8° | 180.0° |
| N | CAU | CAT | CAQ | 48.4° | 0.0° |
| N | CAU | CAT | CAS | 129.9° | 179.7° |
| CAU | N | CA | HA | 55.0° | 34.9° |
| CA | N | CAU | OBC | 32.8° | 0.1° |
| CA | N | CAU | CAT | 151.9° | 180.0° |
| N | CA | CB | HB1 | 12.6° | 54.9° |
| N | CA | CB | HB2 | 112.2° | 175.0° |
| OBC | CAU | CAT | CAQ | 126.9° | 180.0° |
| OBC | CAU | CAT | CAS | 54.9° | 0.3° |
| OBC | CAU | N | H | 147.2° | 180.0° |
| CAU | CAT | CAQ | CAS | 178.3° | 179.7° |
| CAU | CAT | CAQ | CAO | 179.2° | 180.0° |
| CAU | CAT | CAS | CAR | 178.8° | 180.0° |
| CAU | CAT | CAS | FAS | 1.3° | 0.0° |
| CAU | CAT | CAQ | HAQ | 0.7° | 0.0° |
| CAT | CAU | N | H | 28.1° | 0.0° |
| CAT | CAQ | CAO | HAQ | 180.0° | 180.0° |
| CAQ | CAT | CAS | CAR | 0.6° | 0.3° |
| CAQ | CAT | CAS | FAS | 179.4° | 179.7° |
| CAT | CAQ | CAO | CAP | 0.8° | 0.0° |
| CAT | CAQ | CAO | CAN | 178.2° | 180.0° |
| CAS | CAT | CAQ | CAO | 0.9° | 0.3° |
| CAT | CAS | CAR | FAS | 180.0° | 180.0° |
| CAT | CAS | CAR | CAP | 0.1° | 0.0° |
| CAS | CAT | CAQ | HAQ | 179.1° | 179.7° |
| CAT | CAS | CAR | HAR | 179.9° | 180.0° |
| CAQ | CAO | CAP | CAR | 0.3° | 0.3° |
| CAQ | CAO | CAP | CAN | 177.5° | 180.0° |
| CAQ | CAO | CAN | NAY | 123.9° | 90.0° |
| CAQ | CAO | CAP | HAP | 179.7° | 180.0° |
| CAQ | CAO | CAN | HAN1 | 3.9° | 149.9° |
| CAQ | CAO | CAN | HAN2 | 120.8° | 30.0° |
| CAS | CAR | CAP | HAR | 180.0° | 180.0° |
| CAS | CAR | CAP | CAO | 0.1° | 0.2° |
| CAS | CAR | CAP | HAP | 179.9° | 180.0° |
| FAS | CAS | CAR | CAP | 179.9° | 179.9° |
| FAS | CAS | CAR | HAR | 0.1° | 0.1° |
| CAR | CAP | CAO | HAP | 180.0° | 179.8° |
| CAR | CAP | CAO | CAN | 177.8° | 179.8° |
| CAP | CAO | CAN | NAY | 58.6° | 90.0° |
| CAP | CAO | CAQ | HAQ | 179.2° | 180.0° |
| CAO | CAP | CAR | HAR | 180.0° | 179.8° |
| CAP | CAO | CAN | HAN1 | 178.6° | 30.0° |
| CAP | CAO | CAN | HAN2 | 56.6° | 150.0° |
| CAO | CAN | NAY | HAN1 | 120.0° | 120.0° |
| CAO | CAN | NAY | HAN2 | 115.3° | 120.0° |
| CAO | CAN | NAY | CAA | 90.6° | 180.0° |
| CAN | CAO | CAQ | HAQ | 1.8° | 0.0° |
| CAN | CAO | CAP | HAP | 2.2° | 0.0° |
| CAO | CAN | HAN1 | HAN2 | 116.0° | 119.9° |
| CAO | CAN | NAY | HAY | 149.3° | 0.0° |
| CAN | NAY | CAA | HAY | 120.0° | 180.0° |
| CAN | NAY | CAA | CAC | 15.6° | 180.0° |
| CAN | NAY | CAA | CAB | 165.6° | 0.2° |
| NAY | CAN | HAN1 | HAN2 | 116.0° | 120.0° |
| NAY | CAA | CAC | CAB | 178.8° | 179.8° |
| NAY | CAA | CAC | CAE | 179.3° | 180.0° |
| NAY | CAA | CAB | CAG | 179.8° | 180.0° |
| CAA | NAY | CAN | HAN1 | 29.4° | 60.0° |
| CAA | NAY | CAN | HAN2 | 154.1° | 60.0° |
| NAY | CAA | CAC | HAC | 0.6° | 0.0° |
| NAY | CAA | CAB | HAB | 0.2° | 0.0° |
| CAA | CAC | CAE | HAC | 180.0° | 180.0° |
| CAA | CAC | CAE | CAF | 1.4° | 0.0° |
| CAC | CAA | CAB | CAG | 1.0° | 0.2° |
| CAC | CAA | NAY | HAY | 135.6° | 0.0° |
| CAC | CAA | CAB | HAB | 179.0° | 179.8° |
| CAA | CAC | CAE | HAE | 178.6° | 180.0° |
| CAB | CAA | CAC | CAE | 0.6° | 0.3° |
| CAA | CAB | CAG | HAB | 180.0° | 180.0° |
| CAA | CAB | CAG | CAF | 0.6° | 0.1° |
| CAB | CAA | NAY | HAY | 45.6° | 179.7° |
| CAB | CAA | CAC | HAC | 179.4° | 179.7° |
| CAA | CAB | CAG | HAG | 179.5° | 180.0° |
| CAC | CAE | CAF | HAE | 180.0° | 180.0° |
| CAC | CAE | CAF | CAG | 3.0° | 0.3° |
| CAC | CAE | CAF | CAH | 176.4° | 180.0° |
| CAE | CAF | CAG | CAB | 2.6° | 0.3° |
| CAE | CAF | CAG | CAH | 172.8° | 179.7° |
| CAE | CAF | CAH | CAI | 149.1° | 158.9° |
| CAF | CAE | CAC | HAC | 178.6° | 180.0° |
| CAE | CAF | CAG | HAG | 177.5° | 179.8° |
| CAE | CAF | CAH | HAH | 30.9° | 21.0° |
| CAB | CAG | CAF | HAG | 180.0° | 179.9° |
| CAB | CAG | CAF | CAH | 175.4° | 180.0° |
| CAG | CAF | CAH | CAI | 24.1° | 21.4° |
| CAF | CAG | CAB | HAB | 179.5° | 179.9° |
| CAG | CAF | CAE | HAE | 177.0° | 179.7° |
| CAG | CAF | CAH | HAH | 155.9° | 158.7° |
| CAF | CAH | CAI | HAH | 180.0° | 179.9° |
| CAF | CAH | CAI | SBG | 4.2° | 7.5° |
| CAF | CAH | CAI | CAK | 176.2° | 172.8° |
| CAH | CAF | CAE | HAE | 3.7° | 0.0° |
| CAH | CAF | CAG | HAG | 4.7° | 0.1° |
| CAH | CAI | SBG | CAK | 179.7° | 179.7° |
| CAH | CAI | SBG | CAL | 179.7° | 180.0° |
| CAH | CAI | CAK | NAX | 179.9° | 179.7° |
| CAH | CAI | CAK | OBE | 1.9° | 0.0° |
| CAI | SBG | CAL | SBH | 178.3° | 179.9° |
| CAI | SBG | CAL | NAX | 0.1° | 0.0° |
| SBG | CAI | CAK | NAX | 0.3° | 0.5° |
| SBG | CAI | CAK | OBE | 178.4° | 179.7° |
| SBG | CAI | CAH | HAH | 175.8° | 172.4° |
| CAK | CAI | SBG | CAL | 0.1° | 0.3° |
| CAI | CAK | NAX | CAL | 0.4° | 0.6° |
| CAI | CAK | NAX | OBE | 178.2° | 179.7° |
| CAK | CAI | CAH | HAH | 3.8° | 7.3° |
| CAI | CAK | NAX | HAX | 179.7° | 179.7° |
| SBG | CAL | SBH | NAX | 178.4° | 179.9° |
| SBG | CAL | NAX | CAK | 0.3° | 0.3° |
| SBG | CAL | NAX | HAX | 179.7° | 180.0° |
| SBH | CAL | NAX | CAK | 178.1° | 179.6° |
| SBH | CAL | NAX | HAX | 1.9° | 0.1° |
| CAL | NAX | CAK | HAX | 180.0° | 179.7° |
| CAL | NAX | CAK | OBE | 178.5° | 179.7° |
| OBE | CAK | NAX | HAX | 1.5° | 0.0° |
| HG1 | CG | CB | HB1 | 177.9° | 180.0° |
| HG1 | CG | CB | HB2 | 53.1° | 60.0° |
| HB1 | CB | CG | HG2 | 58.1° | 60.0° |
| HB1 | CB | CA | HA | 109.1° | 175.0° |
| HG2 | CG | CB | HB2 | 177.1° | NaN° |
| HB2 | CB | CA | HA | 126.1° | 65.0° |
| HAR | CAR | CAP | HAP | 0.0° | 0.0° |
| HAN1 | CAN | NAY | HAY | 90.6° | 120.0° |
| HAN2 | CAN | NAY | HAY | 34.1° | 120.0° |
| HAC | CAC | CAE | HAE | 1.4° | 0.0° |
| HAB | CAB | CAG | HAG | 0.5° | 0.0° |
| H | N | CA | HA | 125.1° | 145.0° |
