TXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG2 | CB | sing | 1.53Å | 1.53Å | |
| CB | CG1 | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OAO | sing | 1.34Å | 1.39Å | |
| OAO | CAI | sing | 1.45Å | 1.48Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAH | OAN | sing | 1.43Å | 1.46Å | |
| OAN | CAJ | sing | 1.43Å | 1.46Å | |
| CAJ | N9 | sing | 1.46Å | 1.50Å | |
| N9 | C8 | sing | 1.37Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | |
| C4 | N3 | sing | 1.34Å | 1.33Å | |
| N3 | C2 | doub | 1.31Å | 1.36Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N1 | sing | 1.36Å | 1.44Å | |
| N1 | C6 | sing | 1.35Å | 1.41Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG2 | CB | CG1 | 110.5° | 109.5° |
| CG2 | CB | CA | 114.1° | 109.4° |
| CB | CG2 | HG21 | 109.5° | 109.4° |
| CB | CG2 | HG22 | 109.4° | 109.5° |
| CB | CG2 | HG23 | 109.4° | 109.5° |
| CG2 | CB | HB | 106.3° | 109.5° |
| CG1 | CB | CA | 113.1° | 109.4° |
| CG1 | CB | HB | 106.1° | 109.5° |
| CB | CG1 | HG11 | 109.5° | 109.4° |
| CB | CG1 | HG12 | 109.5° | 109.4° |
| CB | CG1 | HG13 | 109.5° | 109.5° |
| CB | CA | N | 109.8° | 109.5° |
| CB | CA | C | 114.0° | 109.5° |
| CA | CB | HB | 106.0° | 109.5° |
| CB | CA | HA | 107.6° | 109.4° |
| N | CA | C | 109.0° | 109.5° |
| N | CA | HA | 108.7° | 109.5° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| CA | C | O | 120.1° | 120.0° |
| CA | C | OAO | 119.8° | 120.0° |
| C | CA | HA | 107.6° | 109.5° |
| O | C | OAO | 120.0° | 120.0° |
| C | OAO | CAI | 111.5° | 117.0° |
| OAO | CAI | CAH | 118.3° | 109.5° |
| OAO | CAI | HAI1 | 107.2° | 109.5° |
| OAO | CAI | HAI2 | 107.2° | 109.5° |
| CAI | CAH | OAN | 112.4° | 109.5° |
| CAH | CAI | HAI1 | 107.2° | 109.5° |
| CAH | CAI | HAI2 | 107.2° | 109.5° |
| CAI | CAH | HAH1 | 108.7° | 109.5° |
| CAI | CAH | HAH2 | 108.8° | 109.4° |
| CAH | OAN | CAJ | 118.6° | 114.0° |
| OAN | CAH | HAH1 | 108.7° | 109.5° |
| OAN | CAH | HAH2 | 108.7° | 109.4° |
| OAN | CAJ | N9 | 118.3° | 109.5° |
| OAN | CAJ | HAJ1 | 107.2° | 109.5° |
| OAN | CAJ | HAJ2 | 107.2° | 109.5° |
| CAJ | N9 | C8 | 127.8° | 126.2° |
| CAJ | N9 | C4 | 122.8° | 126.3° |
| N9 | CAJ | HAJ1 | 107.2° | 109.4° |
| N9 | CAJ | HAJ2 | 107.2° | 109.5° |
| C8 | N9 | C4 | 109.5° | 107.5° |
| N9 | C8 | N7 | 108.7° | 109.8° |
| N9 | C8 | H8 | 125.7° | 125.1° |
| N9 | C4 | C5 | 106.5° | 106.1° |
| N9 | C4 | N3 | 131.1° | 134.2° |
| C8 | N7 | C5 | 108.0° | 109.3° |
| N7 | C8 | H8 | 125.7° | 125.1° |
| N7 | C5 | C4 | 107.3° | 107.3° |
| N7 | C5 | C6 | 132.3° | 134.1° |
| C4 | C5 | C6 | 120.4° | 118.6° |
| C5 | C4 | N3 | 122.4° | 119.6° |
| C5 | C6 | N1 | 116.6° | 118.4° |
| C5 | C6 | O6 | 121.4° | 120.8° |
| C4 | N3 | C2 | 119.7° | 121.2° |
| N3 | C2 | N2 | 119.4° | 119.1° |
| N3 | C2 | N1 | 120.5° | 121.9° |
| N2 | C2 | N1 | 120.0° | 119.1° |
| C2 | N2 | H21N | 120.0° | 120.0° |
| C2 | N2 | H22N | 120.0° | 120.0° |
| C2 | N1 | C6 | 120.3° | 120.3° |
| C2 | N1 | H1 | 119.8° | 119.8° |
| N1 | C6 | O6 | 122.0° | 120.8° |
| C6 | N1 | H1 | 119.9° | 119.8° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.5° | 109.4° |
| HG11 | CG1 | HG13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| HN1 | N | HN2 | 109.4° | 111.0° |
| HAI1 | CAI | HAI2 | 109.4° | 109.4° |
| HAH1 | CAH | HAH2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.4° |
| H21N | N2 | H22N | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG2 | CB | CG1 | CA | 129.3° | 119.9° |
| CG2 | CB | CG1 | HB | 114.8° | 120.1° |
| CG2 | CB | CA | HB | 116.6° | 120.0° |
| CG2 | CB | CA | N | 113.5° | 60.0° |
| CG2 | CB | CA | C | 9.1° | 180.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 119.9° | 120.0° |
| CG2 | CB | CG1 | HG11 | 180.0° | 180.0° |
| CG2 | CB | CG1 | HG12 | 60.0° | 60.1° |
| CG2 | CB | CG1 | HG13 | 60.0° | 60.0° |
| CG2 | CB | CA | HA | 128.4° | 60.0° |
| CG1 | CB | CA | HB | 115.9° | 120.0° |
| CG1 | CB | CA | N | 14.0° | 60.0° |
| CG1 | CB | CA | C | 136.6° | 60.0° |
| CG1 | CB | CG2 | HG21 | 180.0° | 60.1° |
| CG1 | CB | CG2 | HG22 | 60.0° | 180.0° |
| CG1 | CB | CG2 | HG23 | 60.0° | 59.9° |
| CB | CG1 | HG11 | HG12 | 120.0° | 119.9° |
| CB | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB | CG1 | HG12 | HG13 | 120.0° | 120.1° |
| CG1 | CB | CA | HA | 104.2° | 180.0° |
| CB | CA | N | C | 125.5° | 120.0° |
| CB | CA | N | HA | 117.5° | 120.0° |
| CB | CA | C | HA | 119.2° | 120.0° |
| CB | CA | C | O | 53.9° | 100.0° |
| CB | CA | C | OAO | 128.5° | 80.0° |
| CA | CB | CG2 | HG21 | 51.2° | 180.0° |
| CA | CB | CG2 | HG22 | 171.2° | 60.0° |
| CA | CB | CG2 | HG23 | 68.8° | 60.0° |
| CA | CB | CG1 | HG11 | 50.7° | 60.1° |
| CA | CB | CG1 | HG12 | 69.3° | 180.0° |
| CA | CB | CG1 | HG13 | 170.7° | 59.9° |
| CB | CA | N | HN1 | 180.0° | 176.0° |
| CB | CA | N | HN2 | 60.0° | 60.0° |
| N | CA | C | HA | 117.7° | 120.0° |
| N | CA | C | O | 69.1° | 20.0° |
| N | CA | C | OAO | 108.5° | 160.0° |
| N | CA | CB | HB | 129.9° | 180.0° |
| CA | N | HN1 | HN2 | 120.0° | 124.0° |
| CA | C | O | OAO | 177.6° | 180.0° |
| CA | C | OAO | CAI | 160.8° | 180.0° |
| C | CA | CB | HB | 107.5° | 60.0° |
| C | CA | N | HN1 | 54.5° | 64.0° |
| C | CA | N | HN2 | 65.5° | 60.0° |
| O | C | OAO | CAI | 16.8° | 0.0° |
| O | C | CA | HA | 173.2° | 140.0° |
| C | OAO | CAI | CAH | 178.5° | 180.0° |
| OAO | C | CA | HA | 9.2° | 40.0° |
| C | OAO | CAI | HAI1 | 57.2° | 60.0° |
| C | OAO | CAI | HAI2 | 60.2° | 60.0° |
| OAO | CAI | CAH | HAI1 | 121.3° | 120.0° |
| OAO | CAI | CAH | HAI2 | 121.3° | 120.0° |
| OAO | CAI | CAH | OAN | 84.8° | 64.9° |
| OAO | CAI | HAI1 | HAI2 | 116.0° | 120.0° |
| OAO | CAI | CAH | HAH1 | 154.8° | 175.0° |
| OAO | CAI | CAH | HAH2 | 35.7° | 55.0° |
| CAI | CAH | OAN | HAH1 | 120.4° | 120.0° |
| CAI | CAH | OAN | HAH2 | 120.5° | 119.9° |
| CAI | CAH | OAN | CAJ | 145.8° | 180.0° |
| CAH | CAI | HAI1 | HAI2 | 116.0° | 120.0° |
| CAI | CAH | HAH1 | HAH2 | 118.7° | 120.0° |
| CAH | OAN | CAJ | N9 | 39.1° | 179.9° |
| OAN | CAH | CAI | HAI1 | 36.5° | 55.1° |
| OAN | CAH | CAI | HAI2 | 154.0° | 175.0° |
| OAN | CAH | HAH1 | HAH2 | 118.6° | 120.0° |
| CAH | OAN | CAJ | HAJ1 | 82.1° | 60.0° |
| CAH | OAN | CAJ | HAJ2 | 160.4° | 60.0° |
| OAN | CAJ | N9 | HAJ1 | 121.3° | 120.0° |
| OAN | CAJ | N9 | HAJ2 | 121.3° | 120.1° |
| OAN | CAJ | N9 | C8 | 81.2° | 0.0° |
| OAN | CAJ | N9 | C4 | 100.4° | 179.7° |
| CAJ | OAN | CAH | HAH1 | 25.4° | 60.0° |
| CAJ | OAN | CAH | HAH2 | 93.7° | 60.0° |
| OAN | CAJ | HAJ1 | HAJ2 | 116.0° | 120.0° |
| CAJ | N9 | C8 | C4 | 178.6° | 179.8° |
| CAJ | N9 | C8 | N7 | 179.6° | 180.0° |
| CAJ | N9 | C4 | C5 | 179.1° | 179.8° |
| CAJ | N9 | C4 | N3 | 0.1° | 0.0° |
| N9 | CAJ | HAJ1 | HAJ2 | 116.0° | 120.0° |
| CAJ | N9 | C8 | H8 | 0.4° | 0.1° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.4° |
| C8 | N9 | C4 | N3 | 178.9° | 179.8° |
| C8 | N9 | CAJ | HAJ1 | 157.6° | 120.0° |
| C8 | N9 | CAJ | HAJ2 | 40.1° | 120.0° |
| C4 | N9 | C8 | N7 | 0.9° | 0.2° |
| N9 | C4 | C5 | N7 | 0.3° | 0.4° |
| N9 | C4 | C5 | N3 | 179.3° | 179.9° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | N3 | C2 | 178.9° | 180.0° |
| C4 | N9 | CAJ | HAJ1 | 20.9° | 59.7° |
| C4 | N9 | CAJ | HAJ2 | 138.4° | 60.2° |
| C4 | N9 | C8 | H8 | 179.1° | 179.8° |
| C8 | N7 | C5 | C4 | 0.9° | 0.3° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| N7 | C5 | C4 | C6 | 179.2° | 179.8° |
| N7 | C5 | C4 | N3 | 179.6° | 179.7° |
| N7 | C5 | C6 | N1 | 179.3° | 179.3° |
| N7 | C5 | C6 | O6 | 0.2° | 0.0° |
| C5 | N7 | C8 | H8 | 178.9° | 180.0° |
| C5 | C4 | N3 | C2 | 1.9° | 0.1° |
| C4 | C5 | C6 | N1 | 0.4° | 0.4° |
| C4 | C5 | C6 | O6 | 179.1° | 179.7° |
| C6 | C5 | C4 | N3 | 1.2° | 0.1° |
| C5 | C6 | N1 | C2 | 0.4° | 0.6° |
| C5 | C6 | N1 | O6 | 179.5° | 179.3° |
| C5 | C6 | N1 | H1 | 179.6° | 179.7° |
| C4 | N3 | C2 | N2 | 179.7° | 180.0° |
| C4 | N3 | C2 | N1 | 1.9° | 0.0° |
| N3 | C2 | N2 | N1 | 178.4° | 180.0° |
| N3 | C2 | N1 | C6 | 1.2° | 0.4° |
| N3 | C2 | N2 | H21N | 0.0° | 0.1° |
| N3 | C2 | N2 | H22N | 180.0° | 180.0° |
| N3 | C2 | N1 | H1 | 178.9° | 179.9° |
| N2 | C2 | N1 | C6 | 179.5° | 179.6° |
| C2 | N2 | H21N | H22N | 180.0° | 179.9° |
| N2 | C2 | N1 | H1 | 0.5° | 0.1° |
| C2 | N1 | C6 | H1 | 180.0° | 179.7° |
| C2 | N1 | C6 | O6 | 179.1° | 179.9° |
| N1 | C2 | N2 | H21N | 178.4° | 179.9° |
| N1 | C2 | N2 | H22N | 1.6° | 0.0° |
| O6 | C6 | N1 | H1 | 0.9° | 0.4° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HG21 | CG2 | CB | HB | 65.3° | 60.0° |
| HG22 | CG2 | CB | HB | 54.7° | 60.0° |
| HG23 | CG2 | CB | HB | 174.7° | 180.0° |
| HB | CB | CG1 | HG11 | 65.2° | 60.0° |
| HB | CB | CG1 | HG12 | 174.8° | 60.0° |
| HB | CB | CG1 | HG13 | 54.8° | 179.9° |
| HB | CB | CA | HA | 11.7° | 60.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HA | CA | N | HN1 | 62.5° | 56.0° |
| HA | CA | N | HN2 | 177.5° | 179.9° |
| HAI1 | CAI | CAH | HAH1 | 83.9° | 65.0° |
| HAI1 | CAI | CAH | HAH2 | 157.0° | 175.0° |
| HAI2 | CAI | CAH | HAH1 | 33.6° | 55.0° |
| HAI2 | CAI | CAH | HAH2 | 85.6° | 65.0° |
