JSP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.43Å | |
O5' | P | sing | 1.61Å | 1.61Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
C3' | C2' | sing | 1.55Å | 1.53Å | |
OP2 | P | sing | 1.61Å | 1.48Å | |
OP1 | P | doub | 1.48Å | 1.48Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | C1 | sing | 1.51Å | 1.56Å | |
C1 | C6 | doub | 1.35Å | 1.34Å | |
C1 | C2 | sing | 1.41Å | 1.35Å | |
C6 | N5 | sing | 1.36Å | 1.35Å | |
N2 | C2 | sing | 1.38Å | 1.27Å | |
C2 | N3 | doub | 1.33Å | 1.27Å | |
N5 | C7 | sing | 1.46Å | 1.46Å | |
N5 | C4 | sing | 1.35Å | 1.38Å | |
N3 | C4 | sing | 1.33Å | 1.27Å | |
C4 | O4 | doub | 1.22Å | 1.21Å | |
C1' | H1 | sing | 1.09Å | 1.10Å | |
C2' | H2 | sing | 1.09Å | 1.10Å | |
C2' | H3 | sing | 1.09Å | 1.10Å | |
C3' | H4 | sing | 1.09Å | 1.10Å | |
C4' | H5 | sing | 1.09Å | 1.10Å | |
C5' | H6 | sing | 1.09Å | 1.10Å | |
C5' | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.08Å | 1.08Å | |
C7 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
N2 | H12 | sing | 0.97Å | 1.00Å | |
N2 | H13 | sing | 0.97Å | 1.00Å | |
O3' | H14 | sing | 0.97Å | 0.95Å | |
OP2 | H16 | sing | 0.97Å | 0.95Å | |
P | OP3 | sing | 1.61Å | 1.59Å | |
OP3 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 108.8° | 110.5° |
O3' | C3' | C2' | 113.2° | 110.6° |
O3' | C3' | H4 | 111.6° | 110.5° |
C3' | O3' | H14 | 109.5° | 114.0° |
P | O5' | C5' | 118.9° | 123.0° |
O5' | P | OP2 | 107.6° | 109.4° |
O5' | P | OP1 | 108.5° | 109.5° |
O5' | P | OP3 | 102.9° | 109.5° |
O5' | C5' | C4' | 112.4° | 109.5° |
O5' | C5' | H6 | 108.7° | 109.5° |
O5' | C5' | H7 | 108.7° | 109.4° |
C4' | C3' | C2' | 102.7° | 104.2° |
C3' | C4' | C5' | 116.6° | 109.9° |
C3' | C4' | O4' | 105.8° | 107.4° |
C4' | C3' | H4 | 110.1° | 110.5° |
C3' | C4' | H5 | 107.5° | 109.9° |
C3' | C2' | C1' | 100.1° | 102.1° |
C3' | C2' | H2 | 111.8° | 110.9° |
C3' | C2' | H3 | 111.8° | 110.9° |
C2' | C3' | H4 | 110.1° | 110.4° |
OP2 | P | OP1 | 119.5° | 109.5° |
P | OP2 | H16 | 109.5° | 114.0° |
OP2 | P | OP3 | 107.4° | 109.5° |
OP1 | P | OP3 | 109.7° | 109.5° |
C5' | C4' | O4' | 110.8° | 110.0° |
C5' | C4' | H5 | 107.5° | 109.9° |
C4' | C5' | H6 | 108.7° | 109.5° |
C4' | C5' | H7 | 108.7° | 109.5° |
C4' | O4' | C1' | 108.8° | 106.9° |
O4' | C4' | H5 | 108.4° | 109.8° |
C2' | C1' | O4' | 104.4° | 103.6° |
C2' | C1' | C1 | 112.8° | 110.6° |
C2' | C1' | H1 | 109.7° | 110.7° |
C1' | C2' | H2 | 111.8° | 110.9° |
C1' | C2' | H3 | 111.7° | 110.9° |
O4' | C1' | C1 | 109.5° | 110.6° |
O4' | C1' | H1 | 111.2° | 110.6° |
C1' | C1 | C6 | 117.3° | 120.5° |
C1' | C1 | C2 | 124.0° | 120.5° |
C1 | C1' | H1 | 109.1° | 110.5° |
C6 | C1 | C2 | 118.7° | 119.0° |
C1 | C6 | N5 | 119.0° | 119.3° |
C1 | C6 | H8 | 120.5° | 120.4° |
C1 | C2 | N2 | 117.2° | 120.2° |
C1 | C2 | N3 | 121.3° | 119.6° |
C6 | N5 | C7 | 122.2° | 119.9° |
C6 | N5 | C4 | 118.6° | 120.3° |
N5 | C6 | H8 | 120.5° | 120.4° |
N2 | C2 | N3 | 121.5° | 120.2° |
C2 | N2 | H12 | 120.0° | 120.0° |
C2 | N2 | H13 | 120.0° | 119.9° |
C2 | N3 | C4 | 122.7° | 120.7° |
C7 | N5 | C4 | 119.2° | 119.8° |
N5 | C7 | H9 | 109.5° | 109.5° |
N5 | C7 | H10 | 109.5° | 109.5° |
N5 | C7 | H11 | 109.5° | 109.5° |
N5 | C4 | N3 | 119.7° | 121.1° |
N5 | C4 | O4 | 120.3° | 119.4° |
N3 | C4 | O4 | 120.1° | 119.5° |
H2 | C2' | H3 | 109.4° | 110.8° |
H6 | C5' | H7 | 109.5° | 109.5° |
H9 | C7 | H10 | 109.5° | 109.5° |
H9 | C7 | H11 | 109.5° | 109.5° |
H10 | C7 | H11 | 109.4° | 109.5° |
H12 | N2 | H13 | 120.0° | 120.0° |
P | OP3 | H15 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | C2' | 120.2° | 118.8° |
O3' | C3' | C4' | H4 | 122.5° | 122.6° |
O3' | C3' | C2' | H4 | 125.7° | 122.6° |
O3' | C3' | C4' | C5' | 136.5° | 119.7° |
O3' | C3' | C4' | O4' | 99.9° | 120.7° |
O3' | C3' | C2' | C1' | 79.9° | 97.8° |
O3' | C3' | C2' | H2 | 161.6° | 20.4° |
O3' | C3' | C2' | H3 | 38.5° | 143.9° |
O3' | C3' | C4' | H5 | 15.8° | 1.3° |
O5' | P | OP2 | OP1 | 124.2° | 120.0° |
O5' | P | OP2 | OP3 | 110.1° | 120.0° |
O5' | P | OP1 | OP3 | 111.7° | 120.0° |
P | O5' | C5' | C4' | 121.8° | 180.0° |
P | O5' | C5' | H6 | 117.7° | 60.0° |
P | O5' | C5' | H7 | 1.4° | 60.0° |
O5' | P | OP2 | H16 | 124.2° | 60.0° |
O5' | P | OP3 | H15 | 115.4° | 180.0° |
O5' | C5' | C4' | C3' | 10.8° | 175.1° |
C5' | O5' | P | OP2 | 135.0° | 65.1° |
C5' | O5' | P | OP1 | 94.4° | 54.9° |
O5' | C5' | C4' | H6 | 120.4° | 120.0° |
O5' | C5' | C4' | H7 | 120.4° | 119.9° |
O5' | C5' | C4' | O4' | 131.9° | 67.0° |
O5' | C5' | C4' | H5 | 109.8° | 54.0° |
O5' | C5' | H6 | H7 | 118.6° | 120.0° |
C5' | O5' | P | OP3 | 21.8° | 175.0° |
C4' | C3' | C2' | H4 | 117.2° | 118.7° |
C3' | C4' | C5' | O4' | 121.1° | 117.9° |
C3' | C4' | C5' | H5 | 120.7° | 121.0° |
C3' | C4' | O4' | H5 | 115.0° | 119.5° |
C4' | C3' | C2' | C1' | 37.2° | 20.9° |
C3' | C4' | O4' | C1' | 6.2° | 26.3° |
C4' | C3' | C2' | H2 | 81.3° | 139.1° |
C4' | C3' | C2' | H3 | 155.6° | 97.4° |
C3' | C4' | C5' | H6 | 131.3° | 55.0° |
C3' | C4' | C5' | H7 | 109.6° | 65.0° |
C4' | C3' | O3' | H14 | 180.0° | 180.0° |
C2' | C3' | C4' | C5' | 103.3° | 121.5° |
C2' | C3' | C4' | O4' | 20.4° | 1.9° |
C3' | C2' | C1' | H2 | 118.5° | 118.2° |
C3' | C2' | C1' | H3 | 118.5° | 118.2° |
C3' | C2' | C1' | O4' | 42.2° | 36.9° |
C3' | C2' | C1' | C1 | 161.0° | 155.5° |
C3' | C2' | C1' | H1 | 77.1° | 81.7° |
C3' | C2' | H2 | H3 | 124.4° | 123.6° |
C2' | C3' | C4' | H5 | 136.0° | 117.5° |
C2' | C3' | O3' | H14 | 66.5° | 65.1° |
OP2 | P | OP1 | OP3 | 124.6° | 120.0° |
OP2 | P | OP3 | H15 | 131.3° | 60.0° |
OP1 | P | OP2 | H16 | 0.0° | 180.0° |
OP1 | P | OP3 | H15 | 0.0° | 60.0° |
C5' | C4' | O4' | H5 | 117.7° | 121.1° |
C5' | C4' | O4' | C1' | 133.5° | 145.8° |
C5' | C4' | C3' | H4 | 14.0° | 2.9° |
C4' | C5' | H6 | H7 | 118.7° | 120.0° |
C4' | O4' | C1' | C2' | 30.8° | 39.8° |
C4' | O4' | C1' | C1 | 151.8° | 158.4° |
C4' | O4' | C1' | H1 | 87.5° | 78.8° |
O4' | C4' | C3' | H4 | 137.6° | 116.7° |
O4' | C4' | C5' | H6 | 107.7° | 173.0° |
O4' | C4' | C5' | H7 | 11.5° | 53.0° |
C2' | C1' | O4' | C1 | 121.1° | 118.6° |
C2' | C1' | O4' | H1 | 118.3° | 118.6° |
C2' | C1' | C1 | H1 | 122.2° | 122.9° |
C2' | C1' | C1 | C6 | 26.7° | 117.2° |
C2' | C1' | C1 | C2 | 153.0° | 62.5° |
C1' | C2' | H2 | H3 | 124.3° | 123.7° |
C1' | C2' | C3' | H4 | 154.4° | 139.5° |
O4' | C1' | C1 | H1 | 121.9° | 122.8° |
O4' | C1' | C1 | C6 | 89.1° | 128.6° |
O4' | C1' | C1 | C2 | 91.1° | 51.7° |
O4' | C1' | C2' | H2 | 76.3° | 155.1° |
O4' | C1' | C2' | H3 | 160.7° | 81.3° |
C1' | O4' | C4' | H5 | 108.8° | 93.2° |
C1' | C1 | C6 | C2 | 179.8° | 179.7° |
C1' | C1 | C6 | N5 | 180.0° | 179.7° |
C1' | C1 | C2 | N2 | 0.1° | 0.3° |
C1' | C1 | C2 | N3 | 180.0° | 179.7° |
C1 | C1' | C2' | H2 | 42.6° | 86.3° |
C1 | C1' | C2' | H3 | 80.5° | 37.3° |
C1' | C1 | C6 | H8 | 0.0° | 0.2° |
C1 | C6 | N5 | H8 | 180.0° | 179.9° |
C6 | C1 | C2 | N2 | 179.9° | 180.0° |
C6 | C1 | C2 | N3 | 0.2° | 0.0° |
C1 | C6 | N5 | C7 | 179.9° | 180.0° |
C1 | C6 | N5 | C4 | 0.1° | 0.1° |
C6 | C1 | C1' | H1 | 148.9° | 5.7° |
C2 | C1 | C6 | N5 | 0.2° | 0.0° |
C1 | C2 | N2 | N3 | 179.9° | 180.0° |
C1 | C2 | N3 | C4 | 0.1° | 0.0° |
C2 | C1 | C1' | H1 | 30.8° | 174.6° |
C2 | C1 | C6 | H8 | 179.8° | 179.9° |
C1 | C2 | N2 | H12 | 179.9° | 0.0° |
C1 | C2 | N2 | H13 | 0.1° | 180.0° |
C6 | N5 | C7 | C4 | 179.9° | 179.9° |
C6 | N5 | C4 | N3 | 0.1° | 0.1° |
C6 | N5 | C4 | O4 | 179.9° | 180.0° |
C6 | N5 | C7 | H9 | 180.0° | 89.9° |
C6 | N5 | C7 | H10 | 60.0° | 150.0° |
C6 | N5 | C7 | H11 | 60.0° | 30.0° |
N2 | C2 | N3 | C4 | 180.0° | 180.0° |
C2 | N2 | H12 | H13 | 180.0° | 180.0° |
C2 | N3 | C4 | N5 | 0.1° | 0.1° |
C2 | N3 | C4 | O4 | 179.9° | 179.9° |
N3 | C2 | N2 | H12 | 0.0° | 180.0° |
N3 | C2 | N2 | H13 | 180.0° | 0.0° |
C7 | N5 | C4 | N3 | 180.0° | 180.0° |
C7 | N5 | C4 | O4 | 0.1° | 0.1° |
C7 | N5 | C6 | H8 | 0.1° | 0.1° |
N5 | C7 | H9 | H10 | 120.0° | 120.0° |
N5 | C7 | H9 | H11 | 120.0° | 120.0° |
N5 | C7 | H10 | H11 | 120.0° | 120.0° |
N5 | C4 | N3 | O4 | 179.9° | 179.9° |
C4 | N5 | C6 | H8 | 180.0° | 180.0° |
C4 | N5 | C7 | H9 | 0.1° | 90.0° |
C4 | N5 | C7 | H10 | 119.9° | 30.1° |
C4 | N5 | C7 | H11 | 120.1° | 150.0° |
H1 | C1' | C2' | H2 | 164.5° | 36.6° |
H1 | C1' | C2' | H3 | 41.4° | 160.1° |
H2 | C2' | C3' | H4 | 35.9° | 102.2° |
H3 | C2' | C3' | H4 | 87.2° | 21.3° |
H4 | C3' | C4' | H5 | 106.7° | 123.9° |
H4 | C3' | O3' | H14 | 58.4° | 57.4° |
H5 | C4' | C5' | H6 | 10.6° | 66.0° |
H5 | C4' | C5' | H7 | 129.7° | 174.0° |
H9 | C7 | H10 | H11 | 120.0° | 120.0° |
H16 | OP2 | P | OP3 | 125.7° | 60.0° |