LV2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP1 | P | doub | 1.48Å | 1.51Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
P | OP2 | sing | 1.61Å | 1.51Å | |
O3' | C3' | sing | 1.43Å | 1.42Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
O4' | C1' | sing | 1.44Å | 1.41Å | |
O2' | C2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C1' | N1 | sing | 1.47Å | 1.48Å | |
C6 | N1 | sing | 1.36Å | 1.34Å | |
C6 | C5 | doub | 1.35Å | 1.39Å | |
N1 | C2 | sing | 1.35Å | 1.41Å | |
C5 | C4 | sing | 1.41Å | 1.39Å | |
C2 | O2 | doub | 1.22Å | 1.25Å | |
C2 | N3 | sing | 1.33Å | 1.35Å | |
C4 | N3 | doub | 1.33Å | 1.35Å | |
C4 | N4 | sing | 1.38Å | 1.40Å | |
C1 | N4 | sing | 1.46Å | 1.45Å | |
N4 | CM4 | sing | 1.47Å | 1.45Å | |
OP2 | H2 | sing | 0.97Å | 0.95Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C5' | H4 | sing | 1.09Å | 1.10Å | |
C4' | H5 | sing | 1.09Å | 1.10Å | |
C3' | H6 | sing | 1.09Å | 1.10Å | |
C2' | H7 | sing | 1.09Å | 1.10Å | |
O2' | H8 | sing | 0.97Å | 0.95Å | |
C1' | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.08Å | 1.08Å | |
C6 | H11 | sing | 1.08Å | 1.08Å | |
CM4 | H12 | sing | 1.09Å | 1.10Å | |
CM4 | H13 | sing | 1.09Å | 1.10Å | |
CM4 | H14 | sing | 1.09Å | 1.10Å | |
O3' | H15 | sing | 0.97Å | 0.95Å | |
C1 | H16 | sing | 1.09Å | 1.10Å | |
C1 | H17 | sing | 1.09Å | 1.10Å | |
C1 | H18 | sing | 1.09Å | 1.10Å | |
P | OP3 | sing | 1.61Å | 1.60Å | |
OP3 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | O5' | 107.8° | 109.4° |
OP1 | P | OP2 | 119.7° | 109.5° |
OP1 | P | OP3 | 107.5° | 109.4° |
C4' | C5' | O5' | 111.1° | 109.5° |
C5' | C4' | C3' | 115.5° | 110.4° |
C5' | C4' | O4' | 109.2° | 110.4° |
C4' | C5' | H3 | 109.1° | 109.5° |
C4' | C5' | H4 | 109.1° | 109.4° |
C5' | C4' | H5 | 109.0° | 110.4° |
C5' | O5' | P | 121.1° | 123.0° |
O5' | C5' | H3 | 109.0° | 109.5° |
O5' | C5' | H4 | 109.1° | 109.4° |
O5' | P | OP2 | 108.9° | 109.5° |
O5' | P | OP3 | 104.0° | 109.5° |
P | OP2 | H2 | 109.5° | 113.9° |
OP2 | P | OP3 | 107.9° | 109.5° |
O3' | C3' | C4' | 112.2° | 110.5° |
O3' | C3' | C2' | 113.3° | 110.5° |
O3' | C3' | H6 | 110.3° | 110.6° |
C3' | O3' | H15 | 109.5° | 114.0° |
C3' | C4' | O4' | 104.5° | 104.8° |
C4' | C3' | C2' | 103.2° | 104.1° |
C3' | C4' | H5 | 108.8° | 110.3° |
C4' | C3' | H6 | 108.8° | 110.5° |
C4' | O4' | C1' | 110.4° | 105.3° |
O4' | C4' | H5 | 109.8° | 110.4° |
C3' | C2' | O2' | 110.7° | 110.5° |
C3' | C2' | C1' | 102.0° | 104.0° |
C2' | C3' | H6 | 108.8° | 110.5° |
C3' | C2' | H7 | 111.3° | 110.5° |
O4' | C1' | C2' | 108.0° | 104.8° |
O4' | C1' | N1 | 107.9° | 110.4° |
O4' | C1' | H9 | 110.0° | 110.4° |
O2' | C2' | C1' | 108.3° | 110.5° |
O2' | C2' | H7 | 112.9° | 110.6° |
C2' | O2' | H8 | 109.5° | 114.0° |
C2' | C1' | N1 | 113.5° | 110.3° |
C1' | C2' | H7 | 111.2° | 110.5° |
C2' | C1' | H9 | 108.4° | 110.4° |
C1' | N1 | C6 | 120.3° | 119.8° |
C1' | N1 | C2 | 119.8° | 119.8° |
N1 | C1' | H9 | 109.0° | 110.4° |
N1 | C6 | C5 | 119.8° | 119.3° |
C6 | N1 | C2 | 119.8° | 120.3° |
N1 | C6 | H11 | 120.1° | 120.3° |
C6 | C5 | C4 | 119.7° | 118.9° |
C6 | C5 | H10 | 120.2° | 120.6° |
C5 | C6 | H11 | 120.1° | 120.4° |
N1 | C2 | O2 | 119.9° | 119.5° |
N1 | C2 | N3 | 120.2° | 121.1° |
C5 | C4 | N3 | 120.2° | 119.7° |
C5 | C4 | N4 | 120.3° | 120.2° |
C4 | C5 | H10 | 120.2° | 120.5° |
O2 | C2 | N3 | 119.8° | 119.5° |
C2 | N3 | C4 | 120.3° | 120.7° |
N3 | C4 | N4 | 119.4° | 120.2° |
C4 | N4 | C1 | 120.5° | 120.0° |
C4 | N4 | CM4 | 119.3° | 120.0° |
C1 | N4 | CM4 | 120.2° | 120.0° |
N4 | C1 | H16 | 109.5° | 109.5° |
N4 | C1 | H17 | 109.5° | 109.5° |
N4 | C1 | H18 | 109.5° | 109.5° |
N4 | CM4 | H12 | 109.5° | 109.5° |
N4 | CM4 | H13 | 109.5° | 109.5° |
N4 | CM4 | H14 | 109.5° | 109.5° |
H3 | C5' | H4 | 109.5° | 109.4° |
H12 | CM4 | H13 | 109.5° | 109.5° |
H12 | CM4 | H14 | 109.5° | 109.5° |
H13 | CM4 | H14 | 109.5° | 109.5° |
H16 | C1 | H17 | 109.5° | 109.4° |
H16 | C1 | H18 | 109.5° | 109.5° |
H17 | C1 | H18 | 109.5° | 109.5° |
P | OP3 | H1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | O5' | C5' | 51.8° | 55.1° |
OP1 | P | O5' | OP2 | 131.3° | 120.0° |
OP1 | P | O5' | OP3 | 113.9° | 120.0° |
OP1 | P | OP2 | OP3 | 123.2° | 120.0° |
OP1 | P | OP2 | H2 | 0.0° | 179.9° |
OP1 | P | OP3 | H1 | 0.0° | 60.0° |
C4' | C5' | O5' | H3 | 120.3° | 120.1° |
C4' | C5' | O5' | H4 | 120.3° | 119.9° |
C4' | C5' | O5' | P | 159.6° | 180.0° |
C5' | C4' | C3' | O3' | 85.1° | 98.6° |
C5' | C4' | C3' | O4' | 119.9° | 118.8° |
C5' | C4' | C3' | H5 | 122.8° | 122.3° |
C5' | C4' | O4' | H5 | 119.4° | 122.3° |
C5' | C4' | C3' | C2' | 152.6° | 142.8° |
C5' | C4' | O4' | C1' | 143.6° | 159.4° |
C4' | C5' | H3 | H4 | 119.3° | 120.0° |
C5' | C4' | C3' | H6 | 37.2° | 24.2° |
C5' | O5' | P | OP2 | 176.9° | 64.9° |
O5' | C5' | C4' | C3' | 56.3° | 175.0° |
O5' | C5' | C4' | O4' | 61.1° | 69.7° |
O5' | C5' | H3 | H4 | 119.2° | 120.0° |
O5' | C5' | C4' | H5 | 179.0° | 52.7° |
C5' | O5' | P | OP3 | 62.1° | 175.0° |
O5' | P | OP2 | OP3 | 112.3° | 120.1° |
O5' | P | OP2 | H2 | 124.5° | 60.1° |
P | O5' | C5' | H3 | 39.3° | 59.9° |
P | O5' | C5' | H4 | 80.2° | 60.1° |
O5' | P | OP3 | H1 | 114.1° | 180.0° |
OP2 | P | OP3 | H1 | 130.4° | 60.0° |
O3' | C3' | C4' | C2' | 122.3° | 118.6° |
O3' | C3' | C4' | H6 | 122.3° | 122.8° |
O3' | C3' | C4' | O4' | 154.9° | 142.6° |
O3' | C3' | C2' | H6 | 123.0° | 122.7° |
O3' | C3' | C2' | O2' | 39.4° | 0.0° |
O3' | C3' | C2' | C1' | 154.4° | 118.7° |
O3' | C3' | C4' | H5 | 37.7° | 23.7° |
O3' | C3' | C2' | H7 | 87.0° | 122.7° |
C3' | C4' | O4' | H5 | 116.5° | 118.8° |
C4' | C3' | C2' | H6 | 115.5° | 118.6° |
C3' | C4' | O4' | C1' | 19.5° | 40.5° |
C4' | C3' | C2' | O2' | 82.2° | 118.7° |
C4' | C3' | C2' | C1' | 32.8° | 0.0° |
C3' | C4' | C5' | H3 | 176.5° | 65.0° |
C3' | C4' | C5' | H4 | 64.0° | 55.0° |
C4' | C3' | C2' | H7 | 151.5° | 118.6° |
C4' | C3' | O3' | H15 | 180.0° | 179.9° |
O4' | C4' | C3' | C2' | 32.7° | 24.0° |
C4' | O4' | C1' | C2' | 1.9° | 40.5° |
C4' | O4' | C1' | N1 | 121.2° | 159.3° |
O4' | C4' | C5' | H3 | 59.2° | 50.4° |
O4' | C4' | C5' | H4 | 178.7° | 170.4° |
O4' | C4' | C3' | H6 | 82.7° | 94.7° |
C4' | O4' | C1' | H9 | 120.0° | 78.3° |
C3' | C2' | C1' | O4' | 22.2° | 24.0° |
C3' | C2' | O2' | C1' | 111.0° | 114.6° |
C3' | C2' | O2' | H7 | 125.5° | 122.7° |
C3' | C2' | C1' | H7 | 118.7° | 118.6° |
C3' | C2' | C1' | N1 | 97.5° | 142.8° |
C2' | C3' | C4' | H5 | 84.5° | 94.9° |
C3' | C2' | O2' | H8 | 180.0° | 61.5° |
C3' | C2' | C1' | H9 | 141.3° | 94.9° |
C2' | C3' | O3' | H15 | 63.6° | 65.4° |
O4' | C1' | C2' | O2' | 94.6° | 142.6° |
O4' | C1' | C2' | N1 | 119.6° | 118.8° |
O4' | C1' | C2' | H9 | 119.1° | 118.9° |
O4' | C1' | N1 | H9 | 119.4° | 122.4° |
O4' | C1' | N1 | C6 | 37.6° | 126.8° |
O4' | C1' | N1 | C2 | 140.0° | 53.5° |
C1' | O4' | C4' | H5 | 97.0° | 78.3° |
O4' | C1' | C2' | H7 | 140.8° | 94.6° |
O2' | C2' | C1' | H7 | 124.6° | 122.8° |
O2' | C2' | C1' | N1 | 145.8° | 98.6° |
O2' | C2' | C3' | H6 | 162.4° | 122.7° |
O2' | C2' | C1' | H9 | 24.5° | 23.7° |
C2' | C1' | N1 | H9 | 120.9° | 122.3° |
C2' | C1' | N1 | C6 | 82.0° | 117.9° |
C2' | C1' | N1 | C2 | 100.4° | 61.8° |
C1' | C2' | C3' | H6 | 82.6° | 118.7° |
C1' | C2' | O2' | H8 | 69.0° | 176.1° |
C1' | N1 | C6 | C2 | 177.6° | 179.7° |
C1' | N1 | C6 | C5 | 178.5° | 179.7° |
C1' | N1 | C2 | O2 | 1.7° | 0.0° |
C1' | N1 | C2 | N3 | 178.6° | 180.0° |
N1 | C1' | C2' | H7 | 21.2° | 24.2° |
C1' | N1 | C6 | H11 | 1.5° | 0.0° |
N1 | C6 | C5 | H11 | 180.0° | 179.7° |
N1 | C6 | C5 | C4 | 0.4° | 0.6° |
C6 | N1 | C2 | O2 | 179.3° | 179.7° |
C6 | N1 | C2 | N3 | 1.0° | 0.3° |
C6 | N1 | C1' | H9 | 157.1° | 4.4° |
N1 | C6 | C5 | H10 | 179.6° | 179.7° |
C5 | C6 | N1 | C2 | 0.9° | 0.6° |
C6 | C5 | C4 | H10 | 180.0° | 179.7° |
C6 | C5 | C4 | N3 | 0.0° | 0.3° |
C6 | C5 | C4 | N4 | 180.0° | 179.7° |
N1 | C2 | O2 | N3 | 179.7° | 180.0° |
N1 | C2 | N3 | C4 | 0.5° | 0.0° |
C2 | N1 | C1' | H9 | 20.5° | 175.9° |
C2 | N1 | C6 | H11 | 179.1° | 179.7° |
C5 | C4 | N3 | C2 | 0.0° | 0.0° |
C5 | C4 | N3 | N4 | 180.0° | 180.0° |
C5 | C4 | N4 | C1 | 7.2° | 5.4° |
C5 | C4 | N4 | CM4 | 172.2° | 174.6° |
C4 | C5 | C6 | H11 | 179.6° | 179.7° |
O2 | C2 | N3 | C4 | 179.7° | 179.9° |
C2 | N3 | C4 | N4 | 180.0° | 180.0° |
N3 | C4 | N4 | C1 | 172.8° | 174.6° |
N3 | C4 | N4 | CM4 | 7.8° | 5.4° |
N3 | C4 | C5 | H10 | 180.0° | 180.0° |
C4 | N4 | C1 | CM4 | 179.3° | 180.0° |
N4 | C4 | C5 | H10 | 0.0° | 0.0° |
C4 | N4 | CM4 | H12 | 180.0° | 90.0° |
C4 | N4 | CM4 | H13 | 60.0° | 150.0° |
C4 | N4 | CM4 | H14 | 60.0° | 30.0° |
C4 | N4 | C1 | H16 | 180.0° | 5.0° |
C4 | N4 | C1 | H17 | 60.0° | 125.0° |
C4 | N4 | C1 | H18 | 60.0° | 115.0° |
C1 | N4 | CM4 | H12 | 0.7° | 90.0° |
C1 | N4 | CM4 | H13 | 120.7° | 30.0° |
C1 | N4 | CM4 | H14 | 119.4° | 150.0° |
N4 | C1 | H16 | H17 | 120.0° | 120.0° |
N4 | C1 | H16 | H18 | 120.0° | 120.0° |
N4 | C1 | H17 | H18 | 120.0° | 120.0° |
N4 | CM4 | H12 | H13 | 120.0° | 120.0° |
N4 | CM4 | H12 | H14 | 120.0° | 120.0° |
N4 | CM4 | H13 | H14 | 120.0° | 120.0° |
CM4 | N4 | C1 | H16 | 0.7° | 174.9° |
CM4 | N4 | C1 | H17 | 119.3° | 54.9° |
CM4 | N4 | C1 | H18 | 120.7° | 65.1° |
H2 | OP2 | P | OP3 | 123.2° | 60.0° |
H3 | C5' | C4' | H5 | 60.8° | 172.8° |
H4 | C5' | C4' | H5 | 58.7° | 67.3° |
H5 | C4' | C3' | H6 | 160.0° | 146.5° |
H6 | C3' | C2' | H7 | 36.0° | 0.0° |
H6 | C3' | O3' | H15 | 58.5° | 57.2° |
H7 | C2' | O2' | H8 | 54.5° | 61.2° |
H7 | C2' | C1' | H9 | 100.0° | 146.5° |
H10 | C5 | C6 | H11 | 0.4° | 0.0° |
H12 | CM4 | H13 | H14 | 120.0° | 120.0° |
H16 | C1 | H17 | H18 | 120.0° | 120.0° |