MMX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP1 | P | doub | 1.48Å | 1.51Å | |
P | OP2 | sing | 1.61Å | 1.51Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
O3' | C3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
O2 | C2 | doub | 1.22Å | 1.18Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
C1' | N1 | sing | 1.46Å | 1.48Å | |
O2' | C2' | sing | 1.43Å | 1.42Å | |
C2 | N1 | sing | 1.34Å | 1.49Å | |
C2 | N3 | sing | 1.34Å | 1.48Å | |
C32 | C31 | sing | 1.53Å | 1.53Å | |
C31 | N3 | sing | 1.46Å | 1.46Å | |
N1 | C6 | sing | 1.46Å | 1.45Å | |
N3 | C4 | sing | 1.46Å | 1.54Å | |
C6 | C5 | sing | 1.53Å | 1.48Å | |
C4 | C5 | sing | 1.53Å | 1.48Å | |
C4 | N4 | sing | 1.47Å | 1.46Å | |
P | OP3 | sing | 1.61Å | 1.61Å | |
C1' | H1 | sing | 1.09Å | 1.10Å | |
C2' | H2 | sing | 1.09Å | 1.10Å | |
C3' | H3 | sing | 1.09Å | 1.10Å | |
C4 | 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 | |
C5' | H8 | sing | 1.09Å | 1.10Å | |
C5' | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
N4 | H12 | sing | 1.01Å | 1.00Å | |
N4 | H13 | sing | 1.01Å | 1.00Å | |
O2' | H15 | sing | 0.97Å | 0.95Å | |
O3' | H16 | sing | 0.97Å | 0.95Å | |
OP2 | H17 | sing | 0.97Å | 0.95Å | |
C31 | H18 | sing | 1.09Å | 1.10Å | |
C31 | H19 | sing | 1.09Å | 1.10Å | |
C32 | H20 | sing | 1.09Å | 1.10Å | |
C32 | H21 | sing | 1.09Å | 1.10Å | |
C32 | H22 | sing | 1.09Å | 1.10Å | |
OP3 | H23 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.5° | 109.5° |
OP1 | P | O5' | 107.7° | 109.5° |
OP1 | P | OP3 | 107.3° | 109.5° |
OP2 | P | O5' | 108.7° | 109.4° |
OP2 | P | OP3 | 108.5° | 109.5° |
P | OP2 | H17 | 109.5° | 114.0° |
P | O5' | C5' | 120.1° | 123.0° |
O5' | P | OP3 | 104.1° | 109.5° |
O5' | C5' | C4' | 113.0° | 109.4° |
O5' | C5' | H8 | 108.6° | 109.5° |
O5' | C5' | H9 | 108.6° | 109.5° |
C5' | C4' | O4' | 110.3° | 109.9° |
C5' | C4' | C3' | 118.2° | 109.9° |
C5' | C4' | H5 | 108.2° | 110.0° |
C4' | C5' | H8 | 108.5° | 109.5° |
C4' | C5' | H9 | 108.6° | 109.4° |
O4' | C4' | C3' | 102.7° | 107.3° |
C4' | O4' | C1' | 109.1° | 107.0° |
O4' | C4' | H5 | 109.0° | 109.8° |
C4' | C3' | O3' | 114.6° | 110.6° |
C4' | C3' | C2' | 101.3° | 104.2° |
C4' | C3' | H3 | 108.6° | 110.5° |
C3' | C4' | H5 | 108.1° | 109.9° |
O4' | C1' | C2' | 107.4° | 103.5° |
O4' | C1' | N1 | 110.6° | 110.6° |
O4' | C1' | H1 | 110.2° | 110.7° |
O3' | C3' | C2' | 113.5° | 110.5° |
O3' | C3' | H3 | 109.9° | 110.4° |
C3' | O3' | H16 | 109.5° | 114.0° |
C3' | C2' | C1' | 101.0° | 102.1° |
C3' | C2' | O2' | 110.6° | 111.0° |
C3' | C2' | H2 | 111.6° | 110.9° |
C2' | C3' | H3 | 108.5° | 110.5° |
O2 | C2 | N1 | 120.0° | 118.7° |
O2 | C2 | N3 | 117.5° | 118.7° |
C2' | C1' | N1 | 110.8° | 110.6° |
C1' | C2' | O2' | 108.4° | 110.9° |
C2' | C1' | H1 | 108.7° | 110.7° |
C1' | C2' | H2 | 111.4° | 110.9° |
C1' | N1 | C2 | 124.9° | 119.4° |
C1' | N1 | C6 | 116.1° | 119.3° |
N1 | C1' | H1 | 109.2° | 110.6° |
O2' | C2' | H2 | 113.2° | 110.8° |
C2' | O2' | H15 | 109.5° | 114.0° |
N1 | C2 | N3 | 122.5° | 122.6° |
C2 | N1 | C6 | 118.9° | 121.3° |
C2 | N3 | C31 | 121.5° | 119.3° |
C2 | N3 | C4 | 114.1° | 121.3° |
C32 | C31 | N3 | 114.8° | 109.5° |
C32 | C31 | H18 | 108.1° | 109.5° |
C32 | C31 | H19 | 108.1° | 109.5° |
C31 | C32 | H20 | 109.5° | 109.5° |
C31 | C32 | H21 | 109.5° | 109.5° |
C31 | C32 | H22 | 109.5° | 109.4° |
C31 | N3 | C4 | 124.3° | 119.4° |
N3 | C31 | H18 | 108.1° | 109.4° |
N3 | C31 | H19 | 108.1° | 109.5° |
N1 | C6 | C5 | 114.9° | 109.2° |
N1 | C6 | H10 | 108.1° | 109.5° |
N1 | C6 | H11 | 108.1° | 109.6° |
N3 | C4 | C5 | 115.4° | 109.2° |
N3 | C4 | N4 | 112.8° | 109.5° |
N3 | C4 | H4 | 105.5° | 109.5° |
C6 | C5 | C4 | 113.8° | 108.5° |
C6 | C5 | H6 | 108.4° | 109.6° |
C6 | C5 | H7 | 108.4° | 109.8° |
C5 | C6 | H10 | 108.1° | 109.5° |
C5 | C6 | H11 | 108.1° | 109.5° |
C5 | C4 | N4 | 109.9° | 109.5° |
C5 | C4 | H4 | 106.1° | 109.5° |
C4 | C5 | H6 | 108.4° | 109.7° |
C4 | C5 | H7 | 108.4° | 109.6° |
N4 | C4 | H4 | 106.4° | 109.5° |
C4 | N4 | H12 | 109.5° | 111.0° |
C4 | N4 | H13 | 109.4° | 111.0° |
P | OP3 | H23 | 109.5° | 113.9° |
H6 | C5 | H7 | 109.5° | 109.7° |
H8 | C5' | H9 | 109.5° | 109.5° |
H10 | C6 | H11 | 109.5° | 109.5° |
H12 | N4 | H13 | 109.5° | 111.0° |
H18 | C31 | H19 | 109.5° | 109.5° |
H20 | C32 | H21 | 109.5° | 109.5° |
H20 | C32 | H22 | 109.4° | 109.5° |
H21 | C32 | H22 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | O5' | 124.1° | 120.0° |
OP1 | P | OP2 | OP3 | 123.3° | 120.0° |
OP1 | P | O5' | OP3 | 113.7° | 120.1° |
OP1 | P | O5' | C5' | 64.1° | 54.9° |
OP1 | P | OP2 | H17 | 0.0° | 179.9° |
OP1 | P | OP3 | H23 | 0.0° | 60.0° |
OP2 | P | O5' | OP3 | 115.4° | 120.0° |
OP2 | P | O5' | C5' | 165.0° | 65.0° |
OP2 | P | OP3 | H23 | 130.4° | 60.0° |
P | O5' | C5' | C4' | 161.4° | 180.0° |
P | O5' | C5' | H8 | 40.9° | 60.0° |
P | O5' | C5' | H9 | 78.0° | 60.1° |
O5' | P | OP2 | H17 | 124.1° | 59.9° |
O5' | P | OP3 | H23 | 114.0° | 180.0° |
O5' | C5' | C4' | H8 | 120.5° | 120.0° |
O5' | C5' | C4' | H9 | 120.5° | 120.0° |
O5' | C5' | C4' | O4' | 103.0° | 66.4° |
O5' | C5' | C4' | C3' | 14.7° | 175.7° |
C5' | O5' | P | OP3 | 49.6° | 175.0° |
O5' | C5' | C4' | H5 | 137.9° | 54.6° |
O5' | C5' | H8 | H9 | 118.4° | 120.1° |
C5' | C4' | O4' | C3' | 126.8° | 119.5° |
C5' | C4' | O4' | H5 | 118.7° | 121.1° |
C5' | C4' | C3' | H5 | 123.2° | 121.1° |
C5' | C4' | O4' | C1' | 154.7° | 145.9° |
C5' | C4' | C3' | O3' | 74.0° | 119.8° |
C5' | C4' | C3' | C2' | 163.3° | 121.5° |
C5' | C4' | C3' | H3 | 49.2° | 2.8° |
C4' | C5' | H8 | H9 | 118.4° | 119.9° |
O4' | C4' | C3' | H5 | 115.1° | 119.4° |
O4' | C4' | C3' | O3' | 164.3° | 120.7° |
O4' | C4' | C3' | C2' | 41.7° | 2.0° |
C4' | O4' | C1' | C2' | 2.6° | 40.0° |
C4' | O4' | C1' | N1 | 123.5° | 158.5° |
C4' | O4' | C1' | H1 | 115.6° | 78.6° |
O4' | C4' | C3' | H3 | 72.4° | 116.7° |
O4' | C4' | C5' | H8 | 136.5° | 173.6° |
O4' | C4' | C5' | H9 | 17.5° | 53.6° |
C3' | C4' | O4' | C1' | 27.9° | 26.5° |
C4' | C3' | O3' | C2' | 115.7° | 114.8° |
C4' | C3' | O3' | H3 | 122.6° | 122.6° |
C4' | C3' | C2' | H3 | 114.2° | 118.7° |
C4' | C3' | C2' | C1' | 39.2° | 20.9° |
C4' | C3' | C2' | O2' | 75.4° | 139.1° |
C4' | C3' | C2' | H2 | 157.7° | 97.3° |
C3' | C4' | C5' | H8 | 105.8° | 55.7° |
C3' | C4' | C5' | H9 | 135.2° | 64.3° |
C4' | C3' | O3' | H16 | 180.0° | 176.3° |
O4' | C1' | C2' | C3' | 23.6° | 37.0° |
O4' | C1' | C2' | N1 | 120.9° | 118.5° |
O4' | C1' | C2' | H1 | 119.1° | 118.6° |
O4' | C1' | N1 | H1 | 121.4° | 123.0° |
O4' | C1' | C2' | O2' | 92.7° | 155.2° |
O4' | C1' | N1 | C2 | 25.4° | 49.1° |
O4' | C1' | N1 | C6 | 156.1° | 131.0° |
O4' | C1' | C2' | H2 | 142.1° | 81.2° |
C1' | O4' | C4' | H5 | 86.6° | 93.0° |
O3' | C3' | C2' | H3 | 122.5° | 122.5° |
O3' | C3' | C2' | C1' | 162.6° | 98.0° |
O3' | C3' | C2' | O2' | 48.0° | 20.2° |
O3' | C3' | C2' | H2 | 79.0° | 143.9° |
O3' | C3' | C4' | H5 | 49.2° | 1.3° |
C3' | C2' | C1' | O2' | 116.3° | 118.2° |
C3' | C2' | C1' | H2 | 118.6° | 118.2° |
C3' | C2' | C1' | N1 | 97.3° | 155.5° |
C3' | C2' | O2' | H2 | 126.0° | 123.7° |
C3' | C2' | C1' | H1 | 142.7° | 81.6° |
C2' | C3' | C4' | H5 | 73.4° | 117.4° |
C3' | C2' | O2' | H15 | 180.0° | 67.3° |
C2' | C3' | O3' | H16 | 64.3° | 61.4° |
O2 | C2 | N1 | C1' | 1.1° | 1.0° |
O2 | C2 | N1 | N3 | 179.0° | 179.6° |
O2 | C2 | N3 | C31 | 2.0° | 0.9° |
O2 | C2 | N1 | C6 | 179.7° | 179.2° |
O2 | C2 | N3 | C4 | 178.6° | 179.1° |
C2' | C1' | N1 | H1 | 119.7° | 123.0° |
C1' | C2' | O2' | H2 | 124.1° | 123.6° |
C2' | C1' | N1 | C2 | 93.6° | 64.9° |
C2' | C1' | N1 | C6 | 85.0° | 115.0° |
C1' | C2' | C3' | H3 | 75.0° | 139.6° |
C1' | C2' | O2' | H15 | 70.1° | 180.0° |
N1 | C1' | C2' | O2' | 146.4° | 86.3° |
C1' | N1 | C2 | C6 | 178.5° | 179.9° |
C1' | N1 | C2 | N3 | 179.9° | 179.4° |
C1' | N1 | C6 | C5 | 156.9° | 150.9° |
N1 | C1' | C2' | H2 | 21.3° | 37.3° |
C1' | N1 | C6 | H10 | 82.3° | 89.2° |
C1' | N1 | C6 | H11 | 36.1° | 30.9° |
O2' | C2' | C1' | H1 | 26.4° | 36.6° |
O2' | C2' | C3' | H3 | 170.5° | 102.2° |
N1 | C2 | N3 | C31 | 179.0° | 179.5° |
N1 | C2 | N3 | C4 | 2.4° | 0.5° |
C2 | N1 | C6 | C5 | 24.5° | 29.0° |
C2 | N1 | C1' | H1 | 146.8° | 172.1° |
C2 | N1 | C6 | H10 | 96.3° | 90.9° |
C2 | N1 | C6 | H11 | 145.3° | 149.0° |
C2 | N3 | C31 | C32 | 114.3° | 90.0° |
C2 | N3 | C31 | C4 | 176.3° | 180.0° |
N3 | C2 | N1 | C6 | 1.4° | 0.5° |
C2 | N3 | C4 | C5 | 26.8° | 29.1° |
C2 | N3 | C4 | N4 | 154.3° | 90.9° |
C2 | N3 | C4 | H4 | 90.0° | 149.0° |
C2 | N3 | C31 | H18 | 125.0° | 150.0° |
C2 | N3 | C31 | H19 | 6.5° | 30.1° |
C32 | C31 | N3 | H18 | 120.8° | 119.9° |
C32 | C31 | N3 | H19 | 120.8° | 120.1° |
C32 | C31 | N3 | C4 | 69.5° | 90.0° |
C32 | C31 | H18 | H19 | 117.6° | 120.1° |
C31 | C32 | H20 | H21 | 120.0° | 120.0° |
C31 | C32 | H20 | H22 | 120.0° | 119.9° |
C31 | C32 | H21 | H22 | 120.0° | 120.0° |
C31 | N3 | C4 | C5 | 156.7° | 150.9° |
C31 | N3 | C4 | N4 | 29.2° | 89.1° |
C31 | N3 | C4 | H4 | 86.5° | 31.0° |
N3 | C31 | H18 | H19 | 117.5° | 120.0° |
N3 | C31 | C32 | H20 | 180.0° | 60.1° |
N3 | C31 | C32 | H21 | 60.0° | 60.0° |
N3 | C31 | C32 | H22 | 60.0° | 180.0° |
N1 | C6 | C5 | H10 | 120.8° | 119.9° |
N1 | C6 | C5 | H11 | 120.8° | 120.0° |
N1 | C6 | C5 | C4 | 49.2° | 55.4° |
C6 | N1 | C1' | H1 | 34.7° | 8.0° |
N1 | C6 | C5 | H6 | 169.9° | 175.2° |
N1 | C6 | C5 | H7 | 71.4° | 64.3° |
N1 | C6 | H10 | H11 | 117.5° | 120.2° |
N3 | C4 | C5 | C6 | 50.8° | 55.5° |
N3 | C4 | C5 | N4 | 128.9° | 120.0° |
N3 | C4 | C5 | H4 | 116.5° | 119.9° |
N3 | C4 | N4 | H4 | 115.2° | 120.2° |
N3 | C4 | C5 | H6 | 171.5° | 175.2° |
N3 | C4 | C5 | H7 | 69.8° | 64.4° |
N3 | C4 | N4 | H12 | 180.0° | 60.3° |
N3 | C4 | N4 | H13 | 60.0° | 175.8° |
C4 | N3 | C31 | H18 | 51.3° | 30.0° |
C4 | N3 | C31 | H19 | 169.7° | 149.9° |
C6 | C5 | C4 | H6 | 120.6° | 119.7° |
C6 | C5 | C4 | H7 | 120.6° | 119.9° |
C6 | C5 | C4 | N4 | 179.7° | 64.5° |
C6 | C5 | C4 | H4 | 65.7° | 175.4° |
C6 | C5 | H6 | H7 | 118.0° | 120.6° |
C5 | C6 | H10 | H11 | 117.5° | 120.1° |
C5 | C4 | N4 | H4 | 114.4° | 120.1° |
C4 | C5 | H6 | H7 | 118.0° | 120.4° |
C4 | C5 | C6 | H10 | 71.6° | 64.4° |
C4 | C5 | C6 | H11 | 170.0° | 175.4° |
C5 | C4 | N4 | H12 | 49.6° | 180.0° |
C5 | C4 | N4 | H13 | 70.4° | 56.0° |
N4 | C4 | C5 | H6 | 59.6° | 55.2° |
N4 | C4 | C5 | H7 | 59.1° | 175.7° |
C4 | N4 | H12 | H13 | 120.0° | 123.9° |
OP3 | P | OP2 | H17 | 123.3° | 60.0° |
H1 | C1' | C2' | H2 | 98.7° | 160.2° |
H2 | C2' | C3' | H3 | 43.5° | 21.4° |
H2 | C2' | O2' | H15 | 54.0° | 56.4° |
H3 | C3' | C4' | H5 | 172.5° | 123.9° |
H3 | C3' | O3' | H16 | 57.5° | 61.1° |
H4 | C4 | C5 | H6 | 55.0° | 64.9° |
H4 | C4 | C5 | H7 | 173.7° | 55.6° |
H4 | C4 | N4 | H12 | 64.8° | 59.9° |
H4 | C4 | N4 | H13 | 175.2° | 64.1° |
H5 | C4' | C5' | H8 | 17.3° | 65.4° |
H5 | C4' | C5' | H9 | 101.6° | 174.6° |
H6 | C5 | C6 | H10 | 49.1° | 55.3° |
H6 | C5 | C6 | H11 | 69.3° | 64.8° |
H7 | C5 | C6 | H10 | 167.8° | 175.8° |
H7 | C5 | C6 | H11 | 49.4° | 55.7° |
H18 | C31 | C32 | H20 | 59.2° | 180.0° |
H18 | C31 | C32 | H21 | 60.8° | 60.0° |
H18 | C31 | C32 | H22 | 179.2° | 60.0° |
H19 | C31 | C32 | H20 | 59.2° | 60.0° |
H19 | C31 | C32 | H21 | 179.3° | 180.0° |
H19 | C31 | C32 | H22 | 60.8° | 60.0° |
H20 | C32 | H21 | H22 | 120.0° | 120.0° |