TP1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8' | C7' | sing | 1.51Å | 1.56Å | |
| C8' | N1 | sing | 1.47Å | 1.48Å | |
| C8' | H8'1 | sing | 1.09Å | 1.12Å | |
| C8' | H8'2 | sing | 1.09Å | 1.11Å | |
| C7' | O7' | doub | 1.21Å | 1.25Å | |
| C7' | N4' | sing | 1.35Å | 1.34Å | |
| C5' | C' | sing | 1.51Å | 1.52Å | |
| C5' | N4' | sing | 1.46Å | 1.45Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C' | O1' | doub | 1.21Å | 1.23Å | |
| C' | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N4' | C3' | sing | 1.46Å | 1.46Å | |
| C3' | C2' | sing | 1.53Å | 1.52Å | |
| C3' | H3'1 | sing | 1.09Å | 1.11Å | |
| C3' | H3'2 | sing | 1.09Å | 1.12Å | |
| C2' | N1' | sing | 1.47Å | 1.46Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| N1' | C1' | sing | 1.47Å | 1.50Å | |
| N1' | H1' | sing | 1.01Å | 1.02Å | |
| C1' | H1'1 | sing | 1.09Å | 1.11Å | |
| C1' | H1'2 | sing | 1.09Å | 1.12Å | |
| C1' | H1'3 | sing | 1.09Å | 1.12Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| C6 | C5 | doub | 1.35Å | 1.33Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.42Å | 1.42Å | |
| C5 | C5M | sing | 1.51Å | 1.48Å | |
| C5M | HM51 | sing | 1.09Å | 1.11Å | |
| C5M | HM52 | sing | 1.09Å | 1.11Å | |
| C5M | HM53 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7' | C8' | N1 | 109.0° | 109.4° |
| C7' | C8' | H8'1 | 112.4° | 109.5° |
| C7' | C8' | H8'2 | 112.4° | 109.5° |
| C8' | C7' | O7' | 120.3° | 120.0° |
| C8' | C7' | N4' | 119.3° | 120.0° |
| N1 | C8' | H8'1 | 112.4° | 109.5° |
| N1 | C8' | H8'2 | 112.4° | 109.5° |
| C8' | N1 | C6 | 123.0° | 119.7° |
| C8' | N1 | C2 | 116.3° | 119.7° |
| H8'1 | C8' | H8'2 | 98.1° | 109.5° |
| O7' | C7' | N4' | 120.4° | 120.0° |
| C7' | N4' | C5' | 119.9° | 120.0° |
| C7' | N4' | C3' | 126.0° | 120.0° |
| C' | C5' | N4' | 118.8° | 109.5° |
| C' | C5' | H5'1 | 108.8° | 109.5° |
| C' | C5' | H5'2 | 108.8° | 109.4° |
| C5' | C' | O1' | 117.4° | 120.0° |
| C5' | C' | OXT | 121.4° | 120.0° |
| N4' | C5' | H5'1 | 108.9° | 109.5° |
| N4' | C5' | H5'2 | 108.9° | 109.5° |
| C5' | N4' | C3' | 113.5° | 120.0° |
| H5'1 | C5' | H5'2 | 101.2° | 109.5° |
| O1' | C' | OXT | 121.2° | 120.0° |
| C' | OXT | HXT | 121.5° | 120.1° |
| N4' | C3' | C2' | 109.5° | 109.5° |
| N4' | C3' | H3'1 | 112.2° | 109.5° |
| N4' | C3' | H3'2 | 112.1° | 109.4° |
| C2' | C3' | H3'1 | 112.2° | 109.5° |
| C2' | C3' | H3'2 | 112.2° | 109.5° |
| C3' | C2' | N1' | 110.4° | 109.5° |
| C3' | C2' | H2'1 | 111.8° | 109.5° |
| C3' | C2' | H2'2 | 111.8° | 109.5° |
| H3'1 | C3' | H3'2 | 98.2° | 109.5° |
| N1' | C2' | H2'1 | 111.9° | 109.4° |
| N1' | C2' | H2'2 | 111.9° | 109.4° |
| C2' | N1' | C1' | 110.1° | 106.7° |
| C2' | N1' | H1' | 111.9° | 106.7° |
| H2'1 | C2' | H2'2 | 98.5° | 109.5° |
| C1' | N1' | H1' | 112.0° | 106.7° |
| N1' | C1' | H1'1 | 110.1° | 109.5° |
| N1' | C1' | H1'2 | 112.0° | 109.5° |
| N1' | C1' | H1'3 | 111.9° | 109.5° |
| H1'1 | C1' | H1'2 | 112.0° | 109.4° |
| H1'1 | C1' | H1'3 | 112.0° | 109.4° |
| H1'2 | C1' | H1'3 | 98.4° | 109.6° |
| C6 | N1 | C2 | 120.6° | 120.6° |
| N1 | C6 | C5 | 122.2° | 119.7° |
| N1 | C6 | H6 | 120.6° | 120.2° |
| N1 | C2 | O2 | 123.3° | 119.5° |
| N1 | C2 | N3 | 115.0° | 120.9° |
| C5 | C6 | H6 | 117.3° | 120.1° |
| C6 | C5 | C4 | 121.7° | 119.1° |
| C6 | C5 | C5M | 118.0° | 120.5° |
| O2 | C2 | N3 | 121.7° | 119.6° |
| C2 | N3 | C4 | 126.8° | 120.3° |
| C2 | N3 | HN3 | 116.8° | 119.9° |
| C4 | N3 | HN3 | 116.4° | 119.9° |
| N3 | C4 | O4 | 121.5° | 120.3° |
| N3 | C4 | C5 | 113.7° | 119.4° |
| O4 | C4 | C5 | 124.8° | 120.3° |
| C4 | C5 | C5M | 120.3° | 120.4° |
| C5 | C5M | HM51 | 118.0° | 109.5° |
| C5 | C5M | HM52 | 109.1° | 109.5° |
| C5 | C5M | HM53 | 109.1° | 109.5° |
| HM51 | C5M | HM52 | 109.2° | 109.4° |
| HM51 | C5M | HM53 | 109.2° | 109.4° |
| HM52 | C5M | HM53 | 101.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7' | C8' | N1 | H8'1 | 125.2° | 120.0° |
| C7' | C8' | N1 | H8'2 | 125.3° | 120.0° |
| C7' | C8' | H8'1 | H8'2 | 118.3° | 120.0° |
| C8' | C7' | O7' | N4' | 177.4° | 179.9° |
| C8' | C7' | N4' | C5' | 177.9° | 5.3° |
| C8' | C7' | N4' | C3' | 7.0° | 174.7° |
| C7' | C8' | N1 | C6 | 98.0° | 90.1° |
| C7' | C8' | N1 | C2 | 80.0° | 90.3° |
| N1 | C8' | H8'1 | H8'2 | 118.3° | 120.0° |
| N1 | C8' | C7' | O7' | 0.3° | 5.2° |
| N1 | C8' | C7' | N4' | 177.1° | 174.9° |
| C8' | N1 | C6 | C2 | 178.0° | 179.6° |
| C8' | N1 | C6 | C5 | 178.1° | 180.0° |
| C8' | N1 | C6 | H6 | 2.0° | 0.1° |
| C8' | N1 | C2 | O2 | 0.9° | 0.3° |
| C8' | N1 | C2 | N3 | 178.7° | 179.8° |
| H8'1 | C8' | C7' | O7' | 125.5° | 114.8° |
| H8'1 | C8' | C7' | N4' | 51.9° | 65.1° |
| H8'1 | C8' | N1 | C6 | 136.7° | 29.9° |
| H8'1 | C8' | N1 | C2 | 45.2° | 149.7° |
| H8'2 | C8' | C7' | O7' | 125.0° | 125.2° |
| H8'2 | C8' | C7' | N4' | 57.6° | 54.9° |
| H8'2 | C8' | N1 | C6 | 27.2° | 150.0° |
| H8'2 | C8' | N1 | C2 | 154.7° | 29.7° |
| O7' | C7' | N4' | C5' | 4.7° | 174.7° |
| O7' | C7' | N4' | C3' | 175.6° | 5.3° |
| C7' | N4' | C5' | C' | 92.7° | 94.8° |
| C7' | N4' | C5' | C3' | 172.0° | 180.0° |
| C7' | N4' | C5' | H5'1 | 142.1° | 25.3° |
| C7' | N4' | C5' | H5'2 | 32.6° | 145.3° |
| C7' | N4' | C3' | C2' | 107.3° | 90.0° |
| C7' | N4' | C3' | H3'1 | 18.0° | 150.0° |
| C7' | N4' | C3' | H3'2 | 127.5° | 30.0° |
| C' | C5' | N4' | H5'1 | 125.2° | 120.0° |
| C' | C5' | N4' | H5'2 | 125.3° | 120.0° |
| C' | C5' | H5'1 | H5'2 | 114.6° | 120.0° |
| C5' | C' | O1' | OXT | 178.8° | 180.0° |
| C5' | C' | OXT | HXT | 180.0° | 180.0° |
| C' | C5' | N4' | C3' | 95.3° | 85.2° |
| N4' | C5' | H5'1 | H5'2 | 114.6° | 120.0° |
| N4' | C5' | C' | O1' | 167.1° | 5.1° |
| N4' | C5' | C' | OXT | 11.7° | 175.0° |
| C5' | N4' | C3' | C2' | 64.2° | 90.0° |
| C5' | N4' | C3' | H3'1 | 170.5° | 30.0° |
| C5' | N4' | C3' | H3'2 | 61.1° | 150.0° |
| H5'1 | C5' | C' | O1' | 67.7° | 115.0° |
| H5'1 | C5' | C' | OXT | 113.5° | 65.0° |
| H5'1 | C5' | N4' | C3' | 29.9° | 154.8° |
| H5'2 | C5' | C' | O1' | 41.8° | 125.1° |
| H5'2 | C5' | C' | OXT | 137.0° | 55.0° |
| H5'2 | C5' | N4' | C3' | 139.5° | 34.8° |
| O1' | C' | OXT | HXT | 1.2° | 0.0° |
| N4' | C3' | C2' | H3'1 | 125.3° | 120.0° |
| N4' | C3' | C2' | H3'2 | 125.2° | 120.0° |
| N4' | C3' | H3'1 | H3'2 | 118.1° | 120.0° |
| N4' | C3' | C2' | N1' | 77.2° | 180.0° |
| N4' | C3' | C2' | H2'1 | 157.6° | 60.0° |
| N4' | C3' | C2' | H2'2 | 48.1° | 60.0° |
| C2' | C3' | H3'1 | H3'2 | 118.1° | 120.0° |
| C3' | C2' | N1' | H2'1 | 125.2° | 120.0° |
| C3' | C2' | N1' | H2'2 | 125.3° | 120.0° |
| C3' | C2' | H2'1 | H2'2 | 117.7° | 120.0° |
| C3' | C2' | N1' | C1' | 116.0° | 180.0° |
| C3' | C2' | N1' | H1' | 118.7° | 66.2° |
| H3'1 | C3' | C2' | N1' | 48.1° | 60.0° |
| H3'1 | C3' | C2' | H2'1 | 77.2° | 180.0° |
| H3'1 | C3' | C2' | H2'2 | 173.4° | 60.0° |
| H3'2 | C3' | C2' | N1' | 157.6° | 60.0° |
| H3'2 | C3' | C2' | H2'1 | 32.3° | 60.0° |
| H3'2 | C3' | C2' | H2'2 | 77.1° | 180.0° |
| N1' | C2' | H2'1 | H2'2 | 117.8° | 119.9° |
| C2' | N1' | C1' | H1' | 125.2° | 113.8° |
| C2' | N1' | C1' | H1'1 | 180.0° | 180.0° |
| C2' | N1' | C1' | H1'2 | 54.7° | 60.1° |
| C2' | N1' | C1' | H1'3 | 54.7° | 60.1° |
| H2'1 | C2' | N1' | C1' | 118.8° | 60.0° |
| H2'1 | C2' | N1' | H1' | 6.5° | 173.8° |
| H2'2 | C2' | N1' | C1' | 9.3° | 60.0° |
| H2'2 | C2' | N1' | H1' | 116.0° | 53.8° |
| N1' | C1' | H1'1 | H1'2 | 125.3° | 120.0° |
| N1' | C1' | H1'1 | H1'3 | 125.2° | 119.9° |
| N1' | C1' | H1'2 | H1'3 | 117.8° | 120.1° |
| H1' | N1' | C1' | H1'1 | 54.8° | 66.3° |
| H1' | N1' | C1' | H1'2 | 70.5° | 53.7° |
| H1' | N1' | C1' | H1'3 | 179.9° | 173.8° |
| H1'1 | C1' | H1'2 | H1'3 | 117.9° | 120.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | N1 | C2 | O2 | 179.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.6° |
| N1 | C6 | C5 | C4 | 0.4° | 0.1° |
| N1 | C6 | C5 | C5M | 179.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.3° |
| C2 | N1 | C6 | H6 | 180.0° | 179.7° |
| N1 | C2 | O2 | N3 | 179.5° | 179.5° |
| N1 | C2 | N3 | C4 | 0.6° | 0.6° |
| N1 | C2 | N3 | HN3 | 179.4° | 179.7° |
| C6 | C5 | C4 | N3 | 0.4° | 0.1° |
| C6 | C5 | C4 | O4 | 179.7° | 180.0° |
| C6 | C5 | C4 | C5M | 178.5° | 179.9° |
| C6 | C5 | C5M | HM51 | 180.0° | 180.0° |
| C6 | C5 | C5M | HM52 | 54.7° | 60.0° |
| C6 | C5 | C5M | HM53 | 54.8° | 60.0° |
| H6 | C6 | C5 | C4 | 179.5° | 180.0° |
| H6 | C6 | C5 | C5M | 1.0° | 0.0° |
| O2 | C2 | N3 | C4 | 179.0° | 180.0° |
| O2 | C2 | N3 | HN3 | 1.0° | 0.2° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 179.8° | 179.7° |
| C2 | N3 | C4 | C5 | 0.1° | 0.3° |
| N3 | C4 | O4 | C5 | 179.9° | 180.0° |
| N3 | C4 | C5 | C5M | 178.9° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.2° | 0.0° |
| HN3 | N3 | C4 | C5 | 179.9° | 180.0° |
| O4 | C4 | C5 | C5M | 1.2° | 0.0° |
| C4 | C5 | C5M | HM51 | 1.4° | 0.1° |
| C4 | C5 | C5M | HM52 | 123.8° | 120.0° |
| C4 | C5 | C5M | HM53 | 126.7° | 120.0° |
| C5 | C5M | HM51 | HM52 | 125.2° | 120.0° |
| C5 | C5M | HM51 | HM53 | 125.2° | 120.0° |
| C5 | C5M | HM52 | HM53 | 114.8° | 120.0° |
| HM51 | C5M | HM52 | HM53 | 114.9° | 119.9° |
