AI9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1P | P | doub | 1.48Å | 1.63Å | |
O2P | P | sing | 1.61Å | 1.66Å | |
P | O3P | sing | 1.61Å | 1.65Å | |
P | O5' | sing | 1.61Å | 1.63Å | |
O5' | C5' | sing | 1.43Å | 1.41Å | |
C5' | C4' | sing | 1.53Å | 1.56Å | |
O3' | C3' | sing | 1.43Å | 1.44Å | |
C4' | C3' | sing | 1.53Å | 1.55Å | |
C4' | O4' | sing | 1.43Å | 1.45Å | |
C3' | C2' | sing | 1.53Å | 1.54Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.51Å | 1.50Å | |
C1' | N1' | doub | 1.30Å | 1.27Å | |
N1' | C6 | sing | 1.36Å | 1.33Å | |
C6 | N1 | sing | 1.38Å | 1.37Å | |
C6 | C5 | doub | 1.38Å | 1.43Å | |
N5 | C5 | sing | 1.40Å | 1.34Å | |
N1 | C2 | sing | 1.35Å | 1.37Å | |
C5 | C4 | sing | 1.42Å | 1.41Å | |
C2 | O2 | doub | 1.22Å | 1.33Å | |
C2 | N3 | sing | 1.34Å | 1.37Å | |
C4 | N3 | sing | 1.35Å | 1.38Å | |
C4 | O4 | doub | 1.22Å | 1.33Å | |
N3 | H1 | sing | 0.97Å | 1.00Å | |
N5 | H2 | sing | 0.97Å | 1.00Å | |
N5 | H3 | sing | 0.97Å | 1.00Å | |
O2P | H6 | sing | 0.97Å | 0.95Å | |
O3P | H7 | sing | 0.97Å | 0.95Å | |
C5' | H8 | sing | 1.09Å | 1.10Å | |
C5' | H9 | sing | 1.09Å | 1.10Å | |
C4' | H10 | sing | 1.09Å | 1.10Å | |
O4' | H11 | sing | 0.97Å | 0.95Å | |
C3' | H12 | sing | 1.09Å | 1.10Å | |
O3' | H13 | sing | 0.97Å | 0.95Å | |
C2' | H14 | sing | 1.09Å | 1.10Å | |
O2' | H15 | sing | 0.97Å | 0.95Å | |
C1' | H16 | sing | 1.08Å | 1.08Å | |
N1 | H4 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 107.0° | 109.5° |
O1P | P | O3P | 109.7° | 109.5° |
O1P | P | O5' | 116.1° | 109.4° |
O2P | P | O3P | 107.8° | 109.5° |
O2P | P | O5' | 107.7° | 109.5° |
P | O2P | H6 | 109.5° | 114.1° |
O3P | P | O5' | 108.3° | 109.5° |
P | O3P | H7 | 109.5° | 114.0° |
P | O5' | C5' | 118.3° | 123.0° |
O5' | C5' | C4' | 109.2° | 109.5° |
O5' | C5' | H8 | 109.6° | 109.5° |
O5' | C5' | H9 | 109.5° | 109.4° |
C5' | C4' | C3' | 111.0° | 109.5° |
C5' | C4' | O4' | 104.8° | 109.5° |
C4' | C5' | H8 | 109.5° | 109.5° |
C4' | C5' | H9 | 109.5° | 109.5° |
C5' | C4' | H10 | 109.0° | 109.5° |
O3' | C3' | C4' | 105.2° | 109.5° |
O3' | C3' | C2' | 104.9° | 109.5° |
O3' | C3' | H12 | 111.1° | 109.5° |
C3' | O3' | H13 | 109.5° | 114.0° |
C3' | C4' | O4' | 112.3° | 109.5° |
C4' | C3' | C2' | 116.2° | 109.5° |
C3' | C4' | H10 | 109.2° | 109.5° |
C4' | C3' | H12 | 109.6° | 109.5° |
O4' | C4' | H10 | 110.5° | 109.4° |
C4' | O4' | H11 | 109.5° | 114.0° |
C3' | C2' | O2' | 112.4° | 109.5° |
C3' | C2' | C1' | 114.0° | 109.5° |
C2' | C3' | H12 | 109.7° | 109.4° |
C3' | C2' | H14 | 106.4° | 109.4° |
O2' | C2' | C1' | 108.8° | 109.5° |
O2' | C2' | H14 | 107.9° | 109.5° |
C2' | O2' | H15 | 109.5° | 114.0° |
C2' | C1' | N1' | 118.7° | 120.0° |
C1' | C2' | H14 | 106.9° | 109.5° |
C2' | C1' | H16 | 120.6° | 120.0° |
C1' | N1' | C6 | 125.9° | 120.0° |
N1' | C1' | H16 | 120.7° | 120.0° |
N1' | C6 | N1 | 123.2° | 120.4° |
N1' | C6 | C5 | 117.7° | 120.4° |
N1 | C6 | C5 | 119.1° | 119.2° |
C6 | N1 | C2 | 121.5° | 120.4° |
C6 | N1 | H4 | 119.3° | 119.8° |
C6 | C5 | N5 | 118.4° | 120.6° |
C6 | C5 | C4 | 118.7° | 118.7° |
N5 | C5 | C4 | 122.9° | 120.6° |
C5 | N5 | H2 | 109.5° | 120.0° |
C5 | N5 | H3 | 109.4° | 120.0° |
N1 | C2 | O2 | 119.9° | 119.3° |
N1 | C2 | N3 | 120.3° | 121.3° |
C2 | N1 | H4 | 119.3° | 119.8° |
C5 | C4 | N3 | 118.9° | 119.5° |
C5 | C4 | O4 | 120.9° | 120.3° |
O2 | C2 | N3 | 119.9° | 119.4° |
C2 | N3 | C4 | 121.5° | 120.9° |
C2 | N3 | H1 | 119.2° | 119.5° |
N3 | C4 | O4 | 120.2° | 120.2° |
C4 | N3 | H1 | 119.3° | 119.6° |
H2 | N5 | H3 | 109.5° | 120.0° |
H8 | C5' | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 117.9° | 120.0° |
O1P | P | O2P | O5' | 125.5° | 120.0° |
O1P | P | O3P | O5' | 127.6° | 120.0° |
O1P | P | O5' | C5' | 24.3° | 55.0° |
O1P | P | O2P | H6 | 0.0° | 180.0° |
O1P | P | O3P | H7 | 0.0° | 60.1° |
O2P | P | O3P | O5' | 116.3° | 120.0° |
O2P | P | O5' | C5' | 144.2° | 65.0° |
O2P | P | O3P | H7 | 116.1° | 60.0° |
O3P | P | O5' | C5' | 99.5° | 175.0° |
O3P | P | O2P | H6 | 117.8° | 60.0° |
P | O5' | C5' | C4' | 177.1° | 180.0° |
O5' | P | O2P | H6 | 125.5° | 60.0° |
O5' | P | O3P | H7 | 127.6° | 180.0° |
P | O5' | C5' | H8 | 62.9° | 60.0° |
P | O5' | C5' | H9 | 57.2° | 60.0° |
O5' | C5' | C4' | H8 | 120.0° | 120.0° |
O5' | C5' | C4' | H9 | 119.9° | 120.0° |
O5' | C5' | C4' | C3' | 178.0° | 175.0° |
O5' | C5' | C4' | O4' | 60.7° | 65.0° |
O5' | C5' | H8 | H9 | 120.2° | 120.0° |
O5' | C5' | C4' | H10 | 57.7° | 55.0° |
C5' | C4' | C3' | O3' | 62.9° | 60.0° |
C5' | C4' | C3' | O4' | 116.9° | 120.0° |
C5' | C4' | C3' | H10 | 120.2° | 120.0° |
C5' | C4' | O4' | H10 | 117.3° | 120.0° |
C5' | C4' | C3' | C2' | 178.4° | 180.0° |
C4' | C5' | H8 | H9 | 120.1° | 120.0° |
C5' | C4' | O4' | H11 | 180.0° | 60.1° |
C5' | C4' | C3' | H12 | 56.6° | 60.0° |
O3' | C3' | C4' | C2' | 115.5° | 120.0° |
O3' | C3' | C4' | H12 | 119.5° | 120.0° |
O3' | C3' | C4' | O4' | 179.8° | 180.0° |
O3' | C3' | C2' | H12 | 119.4° | 120.0° |
O3' | C3' | C2' | O2' | 58.0° | 180.0° |
O3' | C3' | C2' | C1' | 177.6° | 60.0° |
O3' | C3' | C4' | H10 | 57.3° | 60.0° |
O3' | C3' | C2' | H14 | 59.9° | 60.0° |
C3' | C4' | O4' | H10 | 122.2° | 120.0° |
C4' | C3' | C2' | H12 | 124.9° | 120.0° |
C4' | C3' | C2' | O2' | 57.7° | 60.0° |
C4' | C3' | C2' | C1' | 66.7° | 180.0° |
C3' | C4' | C5' | H8 | 62.1° | 65.0° |
C3' | C4' | C5' | H9 | 58.0° | 55.0° |
C3' | C4' | O4' | H11 | 59.5° | 59.9° |
C4' | C3' | O3' | H13 | 180.0° | 60.0° |
C4' | C3' | C2' | H14 | 175.6° | 60.0° |
O4' | C4' | C3' | C2' | 64.7° | 60.0° |
O4' | C4' | C5' | H8 | 59.3° | 55.0° |
O4' | C4' | C5' | H9 | 179.4° | 175.0° |
O4' | C4' | C3' | H12 | 60.3° | 60.0° |
C3' | C2' | O2' | C1' | 127.3° | 120.0° |
C3' | C2' | O2' | H14 | 117.0° | 120.0° |
C3' | C2' | C1' | H14 | 117.4° | 119.9° |
C3' | C2' | C1' | N1' | 80.9° | 120.0° |
C2' | C3' | C4' | H10 | 58.2° | 60.0° |
C2' | C3' | O3' | H13 | 56.9° | 60.0° |
C3' | C2' | O2' | H15 | 180.0° | 60.1° |
C3' | C2' | C1' | H16 | 99.1° | 60.0° |
O2' | C2' | C1' | H14 | 116.3° | 120.0° |
O2' | C2' | C1' | N1' | 152.8° | 0.0° |
O2' | C2' | C3' | H12 | 177.4° | 60.0° |
O2' | C2' | C1' | H16 | 27.2° | 180.0° |
C2' | C1' | N1' | H16 | 180.0° | 180.0° |
C2' | C1' | N1' | C6 | 150.9° | 174.8° |
C1' | C2' | C3' | H12 | 58.2° | 60.0° |
C1' | C2' | O2' | H15 | 52.8° | 60.0° |
C1' | N1' | C6 | N1 | 1.7° | 5.7° |
C1' | N1' | C6 | C5 | 178.2° | 174.6° |
N1' | C1' | C2' | H14 | 36.5° | 120.0° |
N1' | C6 | N1 | C5 | 179.9° | 179.7° |
N1' | C6 | C5 | N5 | 0.1° | 0.4° |
N1' | C6 | N1 | C2 | 179.8° | 180.0° |
N1' | C6 | C5 | C4 | 179.8° | 180.0° |
C6 | N1' | C1' | H16 | 29.1° | 5.2° |
N1' | C6 | N1 | H4 | 0.2° | 0.0° |
N1 | C6 | C5 | N5 | 180.0° | 180.0° |
C6 | N1 | C2 | H4 | 180.0° | 180.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.3° |
C6 | N1 | C2 | O2 | 179.9° | 180.0° |
C6 | N1 | C2 | N3 | 0.0° | 0.0° |
C6 | C5 | N5 | C4 | 179.9° | 179.6° |
C5 | C6 | N1 | C2 | 0.1° | 0.3° |
C6 | C5 | C4 | N3 | 0.0° | 0.0° |
C6 | C5 | C4 | O4 | 179.9° | 179.9° |
C6 | C5 | N5 | H2 | 180.0° | 5.1° |
C6 | C5 | N5 | H3 | 60.0° | 174.9° |
C5 | C6 | N1 | H4 | 179.9° | 179.7° |
N5 | C5 | C4 | N3 | 179.9° | 179.7° |
N5 | C5 | C4 | O4 | 0.0° | 0.3° |
C5 | N5 | H2 | H3 | 120.0° | 179.9° |
N1 | C2 | O2 | N3 | 179.9° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.4° |
N1 | C2 | N3 | H1 | 179.9° | 180.0° |
C5 | C4 | N3 | C2 | 0.1° | 0.3° |
C5 | C4 | N3 | O4 | 179.9° | 179.9° |
C5 | C4 | N3 | H1 | 179.9° | 180.0° |
C4 | C5 | N5 | H2 | 0.1° | 175.2° |
C4 | C5 | N5 | H3 | 120.1° | 4.7° |
O2 | C2 | N3 | C4 | 180.0° | 179.7° |
O2 | C2 | N3 | H1 | 0.0° | 0.1° |
O2 | C2 | N1 | H4 | 0.1° | 0.0° |
C2 | N3 | C4 | H1 | 180.0° | 179.6° |
C2 | N3 | C4 | O4 | 180.0° | 179.8° |
N3 | C2 | N1 | H4 | 180.0° | 180.0° |
O4 | C4 | N3 | H1 | 0.1° | 0.1° |
H8 | C5' | C4' | H10 | 177.6° | 175.0° |
H9 | C5' | C4' | H10 | 62.3° | 65.0° |
H10 | C4' | O4' | H11 | 62.7° | 180.0° |
H10 | C4' | C3' | H12 | 176.8° | 180.0° |
H12 | C3' | O3' | H13 | 61.6° | 180.0° |
H12 | C3' | C2' | H14 | 59.5° | 180.0° |
H14 | C2' | O2' | H15 | 62.9° | 180.0° |
H14 | C2' | C1' | H16 | 143.5° | 60.0° |