4TK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAS | sing | 1.53Å | 1.53Å | |
| OAF | NAL | sing | 1.42Å | 1.42Å | |
| NAL | C | sing | 1.35Å | 1.34Å | |
| CAS | CAA | sing | 1.53Å | 1.53Å | |
| CAS | CAO | sing | 1.51Å | 1.53Å | |
| CAS | CAB | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CAO | OAE | doub | 1.21Å | 1.23Å | |
| CAO | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| CA | CAQ | sing | 1.51Å | 1.40Å | |
| CAQ | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | BRG | sing | 1.89Å | 1.90Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAC | H10 | sing | 1.09Å | 1.10Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| NAL | H12 | sing | 0.97Å | 1.00Å | |
| OAF | H13 | sing | 0.97Å | 0.95Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAS | CAA | 108.5° | 109.4° |
| CAC | CAS | CAO | 108.0° | 109.5° |
| CAC | CAS | CAB | 109.5° | 109.5° |
| CAS | CAC | H9 | 109.5° | 109.5° |
| CAS | CAC | H10 | 109.5° | 109.5° |
| CAS | CAC | H11 | 109.5° | 109.4° |
| OAF | NAL | C | 117.7° | 120.0° |
| OAF | NAL | H12 | 121.1° | 120.0° |
| NAL | OAF | H13 | 109.5° | 114.0° |
| NAL | C | O | 124.5° | 120.0° |
| NAL | C | CA | 114.3° | 120.0° |
| C | NAL | H12 | 121.2° | 120.0° |
| CAA | CAS | CAO | 110.1° | 109.4° |
| CAA | CAS | CAB | 110.2° | 109.5° |
| CAS | CAA | H3 | 109.5° | 109.4° |
| CAS | CAA | H4 | 109.5° | 109.5° |
| CAS | CAA | H5 | 109.5° | 109.5° |
| CAO | CAS | CAB | 110.5° | 109.5° |
| CAS | CAO | OAE | 120.7° | 120.1° |
| CAS | CAO | N | 116.2° | 119.9° |
| CAS | CAB | H6 | 109.5° | 109.5° |
| CAS | CAB | H7 | 109.4° | 109.5° |
| CAS | CAB | H8 | 109.5° | 109.5° |
| O | C | CA | 121.1° | 120.0° |
| C | CA | N | 106.7° | 109.5° |
| C | CA | CAQ | 110.9° | 109.4° |
| C | CA | H1 | 106.9° | 109.4° |
| OAE | CAO | N | 123.0° | 120.0° |
| CAO | N | CA | 119.9° | 120.0° |
| CAO | N | H2 | 120.1° | 120.0° |
| N | CA | CAQ | 116.0° | 109.4° |
| N | CA | H1 | 107.5° | 109.5° |
| CA | N | H2 | 120.0° | 120.0° |
| CA | CAQ | CAJ | 117.4° | 120.0° |
| CA | CAQ | CAK | 123.1° | 120.0° |
| CAQ | CA | H1 | 108.4° | 109.5° |
| CAJ | CAQ | CAK | 119.5° | 120.0° |
| CAQ | CAJ | CAH | 120.9° | 120.0° |
| CAQ | CAJ | H14 | 119.6° | 120.0° |
| CAQ | CAK | CAI | 119.7° | 120.1° |
| CAQ | CAK | H17 | 120.2° | 120.0° |
| CAJ | CAH | CAP | 119.8° | 120.0° |
| CAH | CAJ | H14 | 119.5° | 120.0° |
| CAJ | CAH | H15 | 120.1° | 120.0° |
| CAK | CAI | CAP | 120.5° | 120.0° |
| CAK | CAI | H16 | 119.8° | 120.0° |
| CAI | CAK | H17 | 120.2° | 119.9° |
| CAH | CAP | CAI | 119.6° | 119.9° |
| CAH | CAP | BRG | 119.0° | 120.0° |
| CAP | CAH | H15 | 120.1° | 120.0° |
| CAI | CAP | BRG | 121.4° | 120.0° |
| CAP | CAI | H16 | 119.7° | 120.0° |
| H3 | CAA | H4 | 109.4° | 109.4° |
| H3 | CAA | H5 | 109.5° | 109.4° |
| H4 | CAA | H5 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.4° |
| H6 | CAB | H8 | 109.4° | 109.4° |
| H7 | CAB | H8 | 109.5° | 109.5° |
| H9 | CAC | H10 | 109.5° | 109.5° |
| H9 | CAC | H11 | 109.4° | 109.5° |
| H10 | CAC | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAS | CAA | CAO | 118.0° | 120.0° |
| CAC | CAS | CAA | CAB | 119.9° | 120.0° |
| CAC | CAS | CAO | CAB | 119.7° | 120.1° |
| CAC | CAS | CAO | OAE | 93.2° | 119.9° |
| CAC | CAS | CAO | N | 85.8° | 60.0° |
| CAC | CAS | CAA | H3 | 180.0° | 180.0° |
| CAC | CAS | CAA | H4 | 60.0° | 60.0° |
| CAC | CAS | CAA | H5 | 60.0° | 60.0° |
| CAC | CAS | CAB | H6 | 180.0° | 180.0° |
| CAC | CAS | CAB | H7 | 60.0° | 60.1° |
| CAC | CAS | CAB | H8 | 60.0° | 60.0° |
| CAS | CAC | H9 | H10 | 120.0° | 120.0° |
| CAS | CAC | H9 | H11 | 120.0° | 120.0° |
| CAS | CAC | H10 | H11 | 120.0° | 119.9° |
| OAF | NAL | C | H12 | 180.0° | 179.9° |
| OAF | NAL | C | O | 2.1° | 0.1° |
| OAF | NAL | C | CA | 179.5° | 180.0° |
| NAL | C | O | CA | 177.2° | 180.0° |
| NAL | C | CA | N | 115.6° | 180.0° |
| NAL | C | CA | CAQ | 117.1° | 60.0° |
| NAL | C | CA | H1 | 0.8° | 60.0° |
| C | NAL | OAF | H13 | 0.9° | 180.0° |
| CAA | CAS | CAO | CAB | 121.9° | 120.0° |
| CAA | CAS | CAO | OAE | 25.1° | 0.0° |
| CAA | CAS | CAO | N | 155.8° | 180.0° |
| CAS | CAA | H3 | H4 | 120.0° | 120.0° |
| CAS | CAA | H3 | H5 | 120.0° | 120.0° |
| CAS | CAA | H4 | H5 | 120.0° | 120.1° |
| CAA | CAS | CAB | H6 | 60.7° | 60.0° |
| CAA | CAS | CAB | H7 | 179.3° | 180.0° |
| CAA | CAS | CAB | H8 | 59.3° | 60.0° |
| CAA | CAS | CAC | H9 | 180.0° | 60.0° |
| CAA | CAS | CAC | H10 | 60.0° | 180.0° |
| CAA | CAS | CAC | H11 | 60.0° | 60.0° |
| CAS | CAO | OAE | N | 179.0° | 180.0° |
| CAS | CAO | N | CA | 175.4° | 180.0° |
| CAS | CAO | N | H2 | 4.6° | 0.1° |
| CAO | CAS | CAA | H3 | 62.0° | 60.0° |
| CAO | CAS | CAA | H4 | 178.0° | 180.0° |
| CAO | CAS | CAA | H5 | 58.0° | 60.0° |
| CAO | CAS | CAB | H6 | 61.1° | 59.9° |
| CAO | CAS | CAB | H7 | 58.9° | 60.0° |
| CAO | CAS | CAB | H8 | 178.8° | 179.9° |
| CAO | CAS | CAC | H9 | 60.7° | 180.0° |
| CAO | CAS | CAC | H10 | 59.3° | 60.0° |
| CAO | CAS | CAC | H11 | 179.3° | 59.9° |
| CAB | CAS | CAO | OAE | 147.1° | 120.0° |
| CAB | CAS | CAO | N | 33.9° | 60.0° |
| CAB | CAS | CAA | H3 | 60.1° | 60.0° |
| CAB | CAS | CAA | H4 | 59.9° | 59.9° |
| CAB | CAS | CAA | H5 | 179.8° | 180.0° |
| CAS | CAB | H6 | H7 | 120.0° | 120.0° |
| CAS | CAB | H6 | H8 | 120.0° | 120.0° |
| CAS | CAB | H7 | H8 | 120.0° | 120.1° |
| CAB | CAS | CAC | H9 | 59.7° | 59.9° |
| CAB | CAS | CAC | H10 | 179.7° | 60.1° |
| CAB | CAS | CAC | H11 | 60.3° | 180.0° |
| O | C | CA | N | 61.8° | 0.0° |
| O | C | CA | CAQ | 65.4° | 120.0° |
| O | C | CA | H1 | 176.7° | 120.0° |
| O | C | NAL | H12 | 178.0° | 180.0° |
| C | CA | N | CAO | 114.6° | 85.0° |
| C | CA | N | CAQ | 124.1° | 120.0° |
| C | CA | N | H1 | 114.4° | 120.0° |
| C | CA | CAQ | H1 | 117.0° | 120.0° |
| C | CA | CAQ | CAJ | 52.9° | 100.0° |
| C | CA | CAQ | CAK | 128.4° | 79.7° |
| C | CA | N | H2 | 65.4° | 94.9° |
| CA | C | NAL | H12 | 0.6° | 0.0° |
| OAE | CAO | N | CA | 3.6° | 0.0° |
| OAE | CAO | N | H2 | 176.4° | 179.9° |
| CAO | N | CA | H2 | 180.0° | 179.9° |
| CAO | N | CA | CAQ | 121.3° | 155.1° |
| CAO | N | CA | H1 | 0.2° | 35.0° |
| N | CA | CAQ | H1 | 121.0° | 120.0° |
| N | CA | CAQ | CAJ | 174.8° | 140.0° |
| N | CA | CAQ | CAK | 6.4° | 40.3° |
| CA | CAQ | CAJ | CAK | 178.8° | 179.7° |
| CA | CAQ | CAJ | CAH | 179.4° | 180.0° |
| CA | CAQ | CAK | CAI | 179.3° | 179.8° |
| CAQ | CA | N | H2 | 58.7° | 25.0° |
| CA | CAQ | CAJ | H14 | 0.6° | 0.1° |
| CA | CAQ | CAK | H17 | 0.8° | 0.1° |
| CAQ | CAJ | CAH | H14 | 180.0° | 179.9° |
| CAJ | CAQ | CAK | CAI | 0.6° | 0.5° |
| CAQ | CAJ | CAH | CAP | 0.3° | 0.0° |
| CAJ | CAQ | CA | H1 | 64.2° | 20.0° |
| CAQ | CAJ | CAH | H15 | 179.6° | 180.0° |
| CAJ | CAQ | CAK | H17 | 179.5° | 179.8° |
| CAK | CAQ | CAJ | CAH | 0.6° | 0.3° |
| CAQ | CAK | CAI | H17 | 180.0° | 179.7° |
| CAQ | CAK | CAI | CAP | 0.2° | 0.5° |
| CAK | CAQ | CA | H1 | 114.6° | 160.3° |
| CAK | CAQ | CAJ | H14 | 179.4° | 179.8° |
| CAQ | CAK | CAI | H16 | 179.8° | 179.7° |
| CAJ | CAH | CAP | H15 | 180.0° | 180.0° |
| CAJ | CAH | CAP | CAI | 0.0° | 0.0° |
| CAJ | CAH | CAP | BRG | 179.9° | 180.0° |
| CAK | CAI | CAP | CAH | 0.0° | 0.2° |
| CAK | CAI | CAP | H16 | 180.0° | 179.8° |
| CAK | CAI | CAP | BRG | 179.9° | 179.7° |
| CAH | CAP | CAI | BRG | 179.9° | 180.0° |
| CAP | CAH | CAJ | H14 | 179.7° | 180.0° |
| CAH | CAP | CAI | H16 | 179.9° | 180.0° |
| CAI | CAP | CAH | H15 | 180.0° | 180.0° |
| CAP | CAI | CAK | H17 | 179.8° | 179.8° |
| BRG | CAP | CAH | H15 | 0.1° | 0.0° |
| BRG | CAP | CAI | H16 | 0.0° | 0.1° |
| H1 | CA | N | H2 | 179.8° | 145.1° |
| H3 | CAA | H4 | H5 | 120.0° | 120.0° |
| H6 | CAB | H7 | H8 | 120.0° | 120.0° |
| H9 | CAC | H10 | H11 | 119.9° | 120.1° |
| H12 | NAL | OAF | H13 | 179.1° | 0.1° |
| H14 | CAJ | CAH | H15 | 0.3° | 0.0° |
| H16 | CAI | CAK | H17 | 0.2° | 0.0° |
