TXA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OX | CX | doub | 1.21Å | 1.24Å | |
| OGX | CBX | sing | 1.43Å | 1.43Å | |
| CX | OXT | sing | 1.34Å | 1.26Å | |
| CX | CAX | sing | 1.51Å | 1.53Å | |
| CBX | CAX | sing | 1.53Å | 1.57Å | |
| CBX | CGX | sing | 1.53Å | 1.53Å | |
| CAX | NX | sing | 1.47Å | 1.53Å | |
| NX | CCA | sing | 1.35Å | 1.34Å | |
| OCA | CCA | doub | 1.21Å | 1.13Å | |
| CCA | OP2 | sing | 1.35Å | 1.27Å | |
| OP2 | P | sing | 1.61Å | 1.44Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| OP1 | P | doub | 1.48Å | 1.66Å | |
| C1' | N9 | sing | 1.47Å | 1.45Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| N3 | C2 | doub | 1.32Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.48Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| P | O5' | sing | 1.61Å | 1.72Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.48Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.38Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CAX | H2 | sing | 1.09Å | 1.10Å | |
| CBX | H3 | sing | 1.09Å | 1.10Å | |
| CGX | H4 | sing | 1.09Å | 1.10Å | |
| CGX | H5 | sing | 1.09Å | 1.10Å | |
| CGX | H6 | sing | 1.09Å | 1.10Å | |
| OGX | H7 | sing | 0.97Å | 0.95Å | |
| NX | H8 | sing | 0.97Å | 1.00Å | |
| OP3 | H9 | sing | 0.97Å | 0.95Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| C1' | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OX | CX | OXT | 120.0° | 120.0° |
| OX | CX | CAX | 120.7° | 120.0° |
| OGX | CBX | CAX | 111.4° | 109.5° |
| OGX | CBX | CGX | 104.4° | 109.5° |
| OGX | CBX | H3 | 110.9° | 109.5° |
| CBX | OGX | H7 | 109.5° | 114.0° |
| OXT | CX | CAX | 119.2° | 120.0° |
| CX | OXT | H1 | 109.5° | 117.0° |
| CX | CAX | CBX | 103.2° | 109.5° |
| CX | CAX | NX | 113.6° | 109.4° |
| CX | CAX | H2 | 108.3° | 109.5° |
| CAX | CBX | CGX | 111.7° | 109.4° |
| CBX | CAX | NX | 115.3° | 109.5° |
| CBX | CAX | H2 | 107.8° | 109.5° |
| CAX | CBX | H3 | 109.0° | 109.5° |
| CGX | CBX | H3 | 109.5° | 109.5° |
| CBX | CGX | H4 | 109.5° | 109.5° |
| CBX | CGX | H5 | 109.5° | 109.4° |
| CBX | CGX | H6 | 109.5° | 109.5° |
| CAX | NX | CCA | 117.3° | 120.0° |
| NX | CAX | H2 | 108.3° | 109.5° |
| CAX | NX | H8 | 121.3° | 120.0° |
| NX | CCA | OCA | 116.3° | 120.0° |
| NX | CCA | OP2 | 110.8° | 120.0° |
| CCA | NX | H8 | 121.4° | 120.0° |
| OCA | CCA | OP2 | 132.0° | 120.0° |
| CCA | OP2 | P | 115.6° | 117.0° |
| OP2 | P | OP1 | 112.9° | 109.5° |
| OP2 | P | O5' | 102.0° | 109.5° |
| OP2 | P | OP3 | 120.4° | 109.5° |
| C1' | O4' | C4' | 108.9° | 105.3° |
| O4' | C1' | N9 | 107.7° | 110.4° |
| O4' | C1' | C2' | 107.8° | 104.8° |
| O4' | C1' | H17 | 111.1° | 110.4° |
| O4' | C4' | C5' | 106.7° | 110.3° |
| O4' | C4' | C3' | 104.7° | 104.8° |
| O4' | C4' | H12 | 112.0° | 110.5° |
| OP1 | P | O5' | 107.2° | 109.5° |
| OP1 | P | OP3 | 113.1° | 109.5° |
| N9 | C1' | C2' | 110.2° | 110.4° |
| C1' | N9 | C4 | 123.7° | 126.2° |
| C1' | N9 | C8 | 128.0° | 126.3° |
| N9 | C1' | H17 | 110.5° | 110.3° |
| C1' | C2' | O2' | 110.7° | 110.6° |
| C1' | C2' | C3' | 103.7° | 104.1° |
| C1' | C2' | H15 | 111.1° | 110.5° |
| C2' | C1' | H17 | 109.5° | 110.4° |
| C2 | N3 | C4 | 120.2° | 120.7° |
| N3 | C2 | N1 | 123.0° | 122.4° |
| N3 | C2 | H21 | 118.5° | 118.8° |
| N3 | C4 | N9 | 135.3° | 135.0° |
| N3 | C4 | C5 | 118.9° | 119.1° |
| C2 | N1 | C6 | 123.3° | 121.2° |
| N1 | C2 | H21 | 118.5° | 118.8° |
| N9 | C4 | C5 | 105.8° | 105.9° |
| C4 | N9 | C8 | 108.4° | 107.5° |
| C4 | C5 | C6 | 117.9° | 118.1° |
| C4 | C5 | N7 | 107.0° | 107.2° |
| N9 | C8 | N7 | 111.0° | 110.0° |
| N9 | C8 | H18 | 124.5° | 125.0° |
| O5' | P | OP3 | 98.5° | 109.5° |
| P | O5' | C5' | 123.7° | 123.0° |
| P | OP3 | H9 | 109.5° | 114.0° |
| N1 | C6 | C5 | 116.6° | 118.5° |
| N1 | C6 | N6 | 122.6° | 120.8° |
| C8 | N7 | C5 | 107.8° | 109.4° |
| N7 | C8 | H18 | 124.5° | 125.0° |
| C6 | C5 | N7 | 135.0° | 134.7° |
| C5 | C6 | N6 | 120.8° | 120.7° |
| C6 | N6 | H19 | 109.5° | 120.0° |
| C6 | N6 | H20 | 109.5° | 120.0° |
| C5' | C4' | C3' | 111.9° | 110.4° |
| C4' | C5' | O5' | 111.6° | 109.5° |
| C4' | C5' | H10 | 108.9° | 109.4° |
| C4' | C5' | H11 | 108.9° | 109.4° |
| C5' | C4' | H12 | 110.7° | 110.3° |
| C4' | C3' | C2' | 100.9° | 104.0° |
| C4' | C3' | O3' | 113.2° | 110.5° |
| C3' | C4' | H12 | 110.6° | 110.4° |
| C4' | C3' | H13 | 110.9° | 110.5° |
| O5' | C5' | H10 | 108.9° | 109.5° |
| O5' | C5' | H11 | 108.9° | 109.5° |
| O2' | C2' | C3' | 107.2° | 110.5° |
| O2' | C2' | H15 | 112.5° | 110.4° |
| C2' | O2' | H16 | 109.5° | 114.0° |
| C2' | C3' | O3' | 107.8° | 110.5° |
| C2' | C3' | H13 | 111.1° | 110.6° |
| C3' | C2' | H15 | 111.3° | 110.5° |
| O3' | C3' | H13 | 112.4° | 110.5° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| H4 | CGX | H5 | 109.5° | 109.5° |
| H4 | CGX | H6 | 109.5° | 109.5° |
| H5 | CGX | H6 | 109.5° | 109.4° |
| H10 | C5' | H11 | 109.5° | 109.5° |
| H19 | N6 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OX | CX | OXT | CAX | 177.5° | 180.0° |
| OX | CX | CAX | CBX | 56.2° | 120.0° |
| OX | CX | CAX | NX | 178.3° | 0.0° |
| OX | CX | OXT | H1 | 0.0° | 0.0° |
| OX | CX | CAX | H2 | 57.9° | 119.9° |
| OGX | CBX | CAX | CX | 51.2° | 54.9° |
| OGX | CBX | CAX | CGX | 116.3° | 120.0° |
| OGX | CBX | CAX | H3 | 122.6° | 120.0° |
| OGX | CBX | CGX | H3 | 118.7° | 120.0° |
| OGX | CBX | CAX | NX | 73.2° | 65.0° |
| OGX | CBX | CAX | H2 | 165.6° | 175.0° |
| OGX | CBX | CGX | H4 | 180.0° | 60.0° |
| OGX | CBX | CGX | H5 | 60.0° | 60.0° |
| OGX | CBX | CGX | H6 | 60.0° | 180.0° |
| OXT | CX | CAX | CBX | 121.4° | 60.0° |
| OXT | CX | CAX | NX | 4.2° | 180.0° |
| OXT | CX | CAX | H2 | 124.5° | 60.0° |
| CX | CAX | CBX | NX | 124.4° | 119.9° |
| CX | CAX | CBX | H2 | 114.4° | 120.1° |
| CX | CAX | CBX | CGX | 167.5° | 175.0° |
| CX | CAX | NX | H2 | 120.4° | 120.0° |
| CX | CAX | NX | CCA | 86.5° | 85.0° |
| CAX | CX | OXT | H1 | 177.5° | 180.0° |
| CX | CAX | CBX | H3 | 71.4° | 65.1° |
| CX | CAX | NX | H8 | 93.5° | 95.0° |
| CAX | CBX | CGX | H3 | 120.8° | 120.0° |
| CBX | CAX | NX | H2 | 120.8° | 120.0° |
| CBX | CAX | NX | CCA | 154.7° | 155.0° |
| CAX | CBX | CGX | H4 | 59.5° | 60.0° |
| CAX | CBX | CGX | H5 | 60.5° | 180.0° |
| CAX | CBX | CGX | H6 | 179.6° | 60.0° |
| CAX | CBX | OGX | H7 | 180.0° | 60.1° |
| CBX | CAX | NX | H8 | 25.3° | 25.0° |
| CGX | CBX | CAX | NX | 43.0° | 55.0° |
| CGX | CBX | CAX | H2 | 78.1° | 65.0° |
| CBX | CGX | H4 | H5 | 120.0° | 119.9° |
| CBX | CGX | H4 | H6 | 120.0° | 120.1° |
| CBX | CGX | H5 | H6 | 120.0° | 120.0° |
| CGX | CBX | OGX | H7 | 59.4° | 59.9° |
| CAX | NX | CCA | H8 | 180.0° | 180.0° |
| CAX | NX | CCA | OCA | 8.5° | 0.0° |
| CAX | NX | CCA | OP2 | 162.4° | 180.0° |
| NX | CAX | CBX | H3 | 164.1° | 175.0° |
| NX | CCA | OCA | OP2 | 168.5° | 180.0° |
| NX | CCA | OP2 | P | 176.5° | 180.0° |
| CCA | NX | CAX | H2 | 33.8° | 35.0° |
| OCA | CCA | OP2 | P | 14.5° | 0.0° |
| OCA | CCA | NX | H8 | 171.5° | 180.0° |
| CCA | OP2 | P | OP1 | 65.8° | 55.0° |
| CCA | OP2 | P | O5' | 179.5° | 175.0° |
| CCA | OP2 | P | OP3 | 72.0° | 65.0° |
| OP2 | CCA | NX | H8 | 17.6° | 0.0° |
| OP2 | P | OP1 | O5' | 111.5° | 120.0° |
| OP2 | P | OP1 | OP3 | 141.0° | 120.0° |
| OP2 | P | O5' | OP3 | 123.8° | 120.0° |
| OP2 | P | O5' | C5' | 54.2° | 175.0° |
| OP2 | P | OP3 | H9 | 137.7° | 60.0° |
| O4' | C1' | N9 | C2' | 117.4° | 115.4° |
| O4' | C1' | N9 | H17 | 121.5° | 122.3° |
| O4' | C1' | C2' | H17 | 121.0° | 118.9° |
| O4' | C1' | N9 | C4 | 158.1° | 159.9° |
| O4' | C1' | N9 | C8 | 21.6° | 20.4° |
| C1' | O4' | C4' | C5' | 147.2° | 159.3° |
| C1' | O4' | C4' | C3' | 28.4° | 40.5° |
| O4' | C1' | C2' | O2' | 98.1° | 142.7° |
| O4' | C1' | C2' | C3' | 16.5° | 24.0° |
| C1' | O4' | C4' | H12 | 91.5° | 78.4° |
| O4' | C1' | C2' | H15 | 136.2° | 94.7° |
| C4' | O4' | C1' | N9 | 126.4° | 159.4° |
| C4' | O4' | C1' | C2' | 7.5° | 40.5° |
| O4' | C4' | C5' | C3' | 114.0° | 115.4° |
| O4' | C4' | C5' | H12 | 122.2° | 122.3° |
| O4' | C4' | C3' | H12 | 120.8° | 119.0° |
| O4' | C4' | C5' | O5' | 165.5° | 69.6° |
| O4' | C4' | C3' | C2' | 37.2° | 24.0° |
| O4' | C4' | C3' | O3' | 152.1° | 142.6° |
| O4' | C4' | C5' | H10 | 74.2° | 50.4° |
| O4' | C4' | C5' | H11 | 45.2° | 170.4° |
| O4' | C4' | C3' | H13 | 80.6° | 94.7° |
| C4' | O4' | C1' | H17 | 112.5° | 78.4° |
| OP1 | P | O5' | OP3 | 117.4° | 120.0° |
| OP1 | P | O5' | C5' | 64.6° | 55.0° |
| OP1 | P | OP3 | H9 | 0.0° | 180.0° |
| N9 | C1' | C2' | H17 | 121.7° | 122.3° |
| C1' | N9 | C4 | N3 | 1.0° | 0.8° |
| C1' | N9 | C4 | C8 | 179.8° | 179.7° |
| C1' | N9 | C4 | C5 | 179.9° | 179.9° |
| C1' | N9 | C8 | N7 | 179.0° | 180.0° |
| N9 | C1' | C2' | O2' | 144.6° | 98.5° |
| N9 | C1' | C2' | C3' | 100.8° | 142.8° |
| N9 | C1' | C2' | H15 | 18.9° | 24.1° |
| C1' | N9 | C8 | H18 | 1.0° | 0.1° |
| C2' | C1' | N9 | C4 | 84.5° | 84.7° |
| C2' | C1' | N9 | C8 | 95.8° | 94.9° |
| C1' | C2' | C3' | C4' | 31.9° | 0.0° |
| C1' | C2' | O2' | C3' | 112.4° | 114.7° |
| C1' | C2' | O2' | H15 | 125.0° | 122.7° |
| C1' | C2' | C3' | H15 | 119.6° | 118.7° |
| C1' | C2' | C3' | O3' | 150.8° | 118.6° |
| C1' | C2' | C3' | H13 | 85.7° | 118.7° |
| C1' | C2' | O2' | H16 | 180.0° | 176.2° |
| N3 | C2 | N1 | H21 | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 178.7° | 179.6° |
| C2 | N3 | C4 | C5 | 0.2° | 0.5° |
| N3 | C2 | N1 | C6 | 3.2° | 0.0° |
| C4 | N3 | C2 | N1 | 1.4° | 0.3° |
| N3 | C4 | N9 | C5 | 179.0° | 179.1° |
| N3 | C4 | N9 | C8 | 179.2° | 179.5° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| N3 | C4 | C5 | N7 | 178.5° | 179.7° |
| C4 | N3 | C2 | H21 | 178.6° | 179.7° |
| C2 | N1 | C6 | C5 | 3.0° | 0.0° |
| C2 | N1 | C6 | N6 | 175.5° | 180.0° |
| C4 | N9 | C8 | N7 | 1.2° | 0.3° |
| N9 | C4 | C5 | C6 | 179.0° | 179.8° |
| N9 | C4 | C5 | N7 | 0.7° | 0.4° |
| C4 | N9 | C1' | H17 | 36.7° | 37.6° |
| C4 | N9 | C8 | H18 | 178.8° | 179.8° |
| C5 | C4 | N9 | C8 | 0.3° | 0.4° |
| C4 | C5 | C6 | N1 | 1.4° | 0.2° |
| C4 | C5 | N7 | C8 | 1.4° | 0.2° |
| C4 | C5 | C6 | N7 | 177.7° | 179.8° |
| C4 | C5 | C6 | N6 | 177.3° | 179.7° |
| N9 | C8 | N7 | H18 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 1.6° | 0.0° |
| C8 | N9 | C1' | H17 | 143.1° | 142.7° |
| P | O5' | C5' | C4' | 82.9° | 180.0° |
| O5' | P | OP3 | H9 | 112.8° | 60.0° |
| P | O5' | C5' | H10 | 156.8° | 60.0° |
| P | O5' | C5' | H11 | 37.4° | 60.0° |
| OP3 | P | O5' | C5' | 177.9° | 65.0° |
| N1 | C6 | C5 | N6 | 178.6° | 180.0° |
| N1 | C6 | C5 | N7 | 176.3° | 180.0° |
| N1 | C6 | N6 | H19 | 0.0° | 180.0° |
| N1 | C6 | N6 | H20 | 120.0° | 0.0° |
| C6 | N1 | C2 | H21 | 176.8° | 180.0° |
| C8 | N7 | C5 | C6 | 179.2° | 180.0° |
| C5 | C6 | N6 | H19 | 178.5° | 0.0° |
| C5 | C6 | N6 | H20 | 58.5° | 180.0° |
| N7 | C5 | C6 | N6 | 5.1° | 0.1° |
| C5 | N7 | C8 | H18 | 178.4° | 179.9° |
| C6 | N6 | H19 | H20 | 120.0° | 180.0° |
| C5' | C4' | C3' | H12 | 123.9° | 122.2° |
| C4' | C5' | O5' | H10 | 120.3° | 120.0° |
| C4' | C5' | O5' | H11 | 120.3° | 120.0° |
| C5' | C4' | C3' | C2' | 152.4° | 142.8° |
| C5' | C4' | C3' | O3' | 92.7° | 98.6° |
| C4' | C5' | H10 | H11 | 119.0° | 119.9° |
| C5' | C4' | C3' | H13 | 34.7° | 24.1° |
| C3' | C4' | C5' | O5' | 80.5° | 175.0° |
| C4' | C3' | C2' | O2' | 85.2° | 118.8° |
| C4' | C3' | C2' | O3' | 118.9° | 118.7° |
| C4' | C3' | C2' | H13 | 117.6° | 118.7° |
| C4' | C3' | O3' | H13 | 126.5° | 122.6° |
| C3' | C4' | C5' | H10 | 39.7° | 65.0° |
| C3' | C4' | C5' | H11 | 159.1° | 55.0° |
| C4' | C3' | O3' | H14 | 180.0° | 180.0° |
| C4' | C3' | C2' | H15 | 151.5° | 118.7° |
| O5' | C5' | H10 | H11 | 119.0° | 120.1° |
| O5' | C5' | C4' | H12 | 43.3° | 52.7° |
| O2' | C2' | C3' | H15 | 123.3° | 122.5° |
| O2' | C2' | C3' | O3' | 33.7° | 0.1° |
| O2' | C2' | C3' | H13 | 157.2° | 122.6° |
| O2' | C2' | C1' | H17 | 22.9° | 23.8° |
| C2' | C3' | O3' | H13 | 122.7° | 122.8° |
| C2' | C3' | C4' | H12 | 83.6° | 95.0° |
| C2' | C3' | O3' | H14 | 69.3° | 65.4° |
| C3' | C2' | O2' | H16 | 67.6° | 61.5° |
| C3' | C2' | C1' | H17 | 137.5° | 94.9° |
| O3' | C3' | C4' | H12 | 31.3° | 23.6° |
| O3' | C3' | C2' | H15 | 89.7° | 122.7° |
| H2 | CAX | CBX | H3 | 43.0° | 55.0° |
| H2 | CAX | NX | H8 | 146.1° | 145.0° |
| H3 | CBX | CGX | H4 | 61.3° | 180.0° |
| H3 | CBX | CGX | H5 | 178.7° | 60.0° |
| H3 | CBX | CGX | H6 | 58.7° | 59.9° |
| H3 | CBX | OGX | H7 | 58.4° | 180.0° |
| H4 | CGX | H5 | H6 | 120.0° | 120.0° |
| H10 | C5' | C4' | H12 | 163.6° | 172.8° |
| H11 | C5' | C4' | H12 | 77.0° | 67.3° |
| H12 | C4' | C3' | H13 | 158.6° | 146.3° |
| H13 | C3' | O3' | H14 | 53.4° | 57.4° |
| H13 | C3' | C2' | H15 | 33.9° | 0.0° |
| H15 | C2' | O2' | H16 | 55.0° | 61.1° |
| H15 | C2' | C1' | H17 | 102.8° | 146.4° |
