DUZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5' | P | sing | 1.61Å | 1.61Å | |
OP1 | P | doub | 1.48Å | 1.51Å | |
P | OP2 | sing | 1.61Å | 1.50Å | |
P | OP3 | sing | 1.61Å | 1.59Å | |
C2 | N1 | sing | 1.34Å | 1.43Å | |
C1' | N1 | sing | 1.47Å | 1.46Å | |
N1 | C6 | sing | 1.36Å | 1.34Å | |
O2 | C2 | doub | 1.22Å | 1.25Å | |
C2 | N3 | sing | 1.34Å | 1.34Å | |
N3 | C4 | sing | 1.35Å | 1.34Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C4 | O4 | doub | 1.22Å | 1.25Å | |
C4 | C5 | sing | 1.47Å | 1.49Å | |
C6 | C5 | doub | 1.38Å | 1.38Å | |
C5 | C21 | sing | 1.47Å | 1.49Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C1' | C2' | sing | 1.54Å | 1.52Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å | |
C21 | N23 | sing | 1.35Å | 1.33Å | |
C21 | O22 | doub | 1.22Å | 1.22Å | |
N23 | C24 | sing | 1.46Å | 1.46Å | |
N23 | HN23 | sing | 0.97Å | 1.00Å | |
C24 | C25 | sing | 1.51Å | 1.52Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H24A | sing | 1.09Å | 1.10Å | |
C30 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
C29 | H29 | sing | 1.08Å | 1.08Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C30 | H30 | sing | 1.08Å | 1.08Å | |
O4' | C4' | sing | 1.44Å | 1.43Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5' | P | OP1 | 107.0° | 109.4° |
O5' | P | OP2 | 110.1° | 109.5° |
O5' | P | OP3 | 100.9° | 109.5° |
P | O5' | C5' | 118.3° | 123.1° |
OP1 | P | OP2 | 121.7° | 109.5° |
OP1 | P | OP3 | 105.2° | 109.5° |
OP2 | P | OP3 | 109.9° | 109.5° |
P | OP2 | HOP2 | 109.5° | 114.0° |
P | OP3 | HOP3 | 109.5° | 114.0° |
C2 | N1 | C1' | 120.4° | 119.2° |
C2 | N1 | C6 | 120.5° | 121.5° |
N1 | C2 | O2 | 120.4° | 119.0° |
N1 | C2 | N3 | 121.6° | 122.1° |
C1' | N1 | C6 | 119.0° | 119.3° |
N1 | C1' | C2' | 116.8° | 109.9° |
N1 | C1' | O4' | 106.9° | 109.8° |
N1 | C1' | H1' | 109.1° | 109.9° |
N1 | C6 | C5 | 119.4° | 119.3° |
N1 | C6 | H6 | 120.3° | 120.3° |
O2 | C2 | N3 | 118.1° | 118.9° |
C2 | N3 | C4 | 120.5° | 120.4° |
C2 | N3 | HN3 | 119.8° | 119.8° |
C4 | N3 | HN3 | 119.7° | 119.7° |
N3 | C4 | O4 | 119.8° | 120.8° |
N3 | C4 | C5 | 118.9° | 118.5° |
O4 | C4 | C5 | 121.3° | 120.7° |
C4 | C5 | C6 | 119.0° | 118.1° |
C4 | C5 | C21 | 123.5° | 121.0° |
C6 | C5 | C21 | 117.4° | 120.9° |
C5 | C6 | H6 | 120.3° | 120.4° |
C5 | C21 | N23 | 120.5° | 120.0° |
C5 | C21 | O22 | 117.1° | 120.0° |
C2' | C1' | O4' | 106.0° | 107.3° |
C2' | C1' | H1' | 108.4° | 109.9° |
C1' | C2' | C3' | 102.1° | 104.2° |
C1' | C2' | H2' | 111.3° | 110.5° |
C1' | C2' | H2'A | 111.3° | 110.5° |
O4' | C1' | H1' | 109.5° | 110.0° |
C1' | O4' | C4' | 111.3° | 107.0° |
C3' | C2' | H2' | 111.3° | 110.5° |
C3' | C2' | H2'A | 111.3° | 110.5° |
C2' | C3' | O3' | 110.2° | 110.9° |
C2' | C3' | C4' | 105.3° | 102.1° |
C2' | C3' | H3' | 111.9° | 110.9° |
H2' | C2' | H2'A | 109.4° | 110.5° |
N23 | C21 | O22 | 122.4° | 120.0° |
C21 | N23 | C24 | 126.5° | 120.0° |
C21 | N23 | HN23 | 116.7° | 120.0° |
C24 | N23 | HN23 | 116.7° | 120.0° |
N23 | C24 | C25 | 105.7° | 109.5° |
N23 | C24 | H24 | 110.4° | 109.5° |
N23 | C24 | H24A | 110.4° | 109.4° |
C25 | C24 | H24 | 110.4° | 109.5° |
C25 | C24 | H24A | 110.4° | 109.5° |
C24 | C25 | C30 | 120.8° | 120.0° |
C24 | C25 | C26 | 120.8° | 120.0° |
H24 | C24 | H24A | 109.5° | 109.5° |
C30 | C25 | C26 | 118.4° | 120.0° |
C25 | C30 | C29 | 121.1° | 120.0° |
C25 | C30 | H30 | 119.5° | 120.0° |
C25 | C26 | C27 | 120.2° | 120.0° |
C25 | C26 | H26 | 119.9° | 120.0° |
C27 | C26 | H26 | 119.9° | 120.0° |
C26 | C27 | C28 | 121.5° | 120.0° |
C26 | C27 | H27 | 119.3° | 120.0° |
C28 | C27 | H27 | 119.3° | 120.0° |
C27 | C28 | C29 | 118.6° | 120.0° |
C27 | C28 | H28 | 120.7° | 120.0° |
C29 | C28 | H28 | 120.7° | 120.0° |
C28 | C29 | C30 | 120.2° | 120.0° |
C28 | C29 | H29 | 119.9° | 120.0° |
C30 | C29 | H29 | 119.9° | 120.0° |
C29 | C30 | H30 | 119.4° | 120.0° |
O3' | C3' | C4' | 103.6° | 110.9° |
O3' | C3' | H3' | 113.4° | 110.9° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C4' | C3' | H3' | 111.9° | 110.9° |
C3' | C4' | O4' | 105.7° | 103.5° |
C3' | C4' | C5' | 114.1° | 110.6° |
C3' | C4' | H4' | 108.7° | 110.7° |
O4' | C4' | C5' | 110.0° | 110.6° |
O4' | C4' | H4' | 109.8° | 110.7° |
C5' | C4' | H4' | 108.5° | 110.5° |
C4' | C5' | O5' | 109.9° | 109.5° |
C4' | C5' | H5' | 109.3° | 109.5° |
C4' | C5' | H5'A | 109.4° | 109.5° |
O5' | C5' | H5' | 109.4° | 109.4° |
O5' | C5' | H5'A | 109.4° | 109.4° |
H5' | C5' | H5'A | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5' | P | OP1 | OP2 | 127.7° | 120.0° |
O5' | P | OP1 | OP3 | 106.7° | 120.0° |
O5' | P | OP2 | OP3 | 110.3° | 120.0° |
P | O5' | C5' | C4' | 133.2° | 180.0° |
P | O5' | C5' | H5' | 106.7° | 60.0° |
P | O5' | C5' | H5'A | 13.1° | 60.0° |
O5' | P | OP2 | HOP2 | 126.3° | 60.0° |
O5' | P | OP3 | HOP3 | 111.1° | 180.0° |
OP1 | P | OP2 | OP3 | 123.4° | 120.0° |
OP1 | P | O5' | C5' | 37.3° | 55.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 179.9° |
OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
OP2 | P | O5' | C5' | 171.5° | 65.0° |
OP2 | P | OP3 | HOP3 | 132.6° | 60.0° |
OP3 | P | O5' | C5' | 72.4° | 175.0° |
OP3 | P | OP2 | HOP2 | 123.4° | 60.0° |
C2 | N1 | C1' | C6 | 176.7° | 179.7° |
N1 | C2 | O2 | N3 | 179.8° | 180.0° |
N1 | C2 | N3 | C4 | 1.1° | 0.0° |
N1 | C2 | N3 | HN3 | 178.9° | 180.0° |
C2 | N1 | C6 | C5 | 2.6° | 0.0° |
C2 | N1 | C6 | H6 | 177.4° | 180.0° |
C2 | N1 | C1' | C2' | 120.4° | 64.7° |
C2 | N1 | C1' | O4' | 121.1° | 53.1° |
C2 | N1 | C1' | H1' | 2.8° | 174.3° |
C1' | N1 | C2 | O2 | 2.0° | 0.3° |
C1' | N1 | C2 | N3 | 178.3° | 179.7° |
C1' | N1 | C6 | C5 | 179.2° | 179.7° |
C1' | N1 | C6 | H6 | 0.8° | 0.3° |
N1 | C1' | C2' | O4' | 118.9° | 119.4° |
N1 | C1' | C2' | H1' | 123.6° | 121.0° |
N1 | C1' | O4' | H1' | 118.0° | 121.1° |
N1 | C1' | C2' | C3' | 147.8° | 121.4° |
N1 | C1' | C2' | H2' | 93.4° | 119.9° |
N1 | C1' | C2' | H2'A | 29.0° | 2.7° |
N1 | C1' | O4' | C4' | 142.4° | 145.9° |
C6 | N1 | C2 | O2 | 178.6° | 180.0° |
C6 | N1 | C2 | N3 | 1.6° | 0.0° |
N1 | C6 | C5 | C4 | 2.9° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
N1 | C6 | C5 | C21 | 179.3° | 180.0° |
C6 | N1 | C1' | C2' | 62.9° | 115.0° |
C6 | N1 | C1' | O4' | 55.6° | 127.2° |
C6 | N1 | C1' | H1' | 173.9° | 6.0° |
O2 | C2 | N3 | C4 | 179.1° | 180.0° |
O2 | C2 | N3 | HN3 | 0.9° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
C2 | N3 | C4 | O4 | 179.4° | 179.9° |
C2 | N3 | C4 | C5 | 1.4° | 0.0° |
N3 | C4 | O4 | C5 | 179.1° | 179.9° |
N3 | C4 | C5 | C6 | 2.4° | 0.0° |
N3 | C4 | C5 | C21 | 178.5° | 180.0° |
HN3 | N3 | C4 | O4 | 0.6° | 0.1° |
HN3 | N3 | C4 | C5 | 178.6° | 180.0° |
O4 | C4 | C5 | C6 | 178.5° | 179.9° |
O4 | C4 | C5 | C21 | 2.3° | 0.1° |
C4 | C5 | C6 | C21 | 176.4° | 180.0° |
C4 | C5 | C6 | H6 | 177.1° | 180.0° |
C4 | C5 | C21 | N23 | 6.0° | 5.7° |
C4 | C5 | C21 | O22 | 176.7° | 174.3° |
C6 | C5 | C21 | N23 | 170.3° | 174.4° |
C6 | C5 | C21 | O22 | 7.1° | 5.6° |
C21 | C5 | C6 | H6 | 0.7° | 0.0° |
C5 | C21 | N23 | O22 | 177.2° | 180.0° |
C5 | C21 | N23 | C24 | 176.6° | 174.9° |
C5 | C21 | N23 | HN23 | 3.4° | 5.1° |
C2' | C1' | O4' | H1' | 116.7° | 119.5° |
C1' | C2' | C3' | H2' | 118.8° | 118.6° |
C1' | C2' | C3' | H2'A | 118.8° | 118.7° |
C1' | C2' | H2' | H2'A | 123.4° | 122.7° |
C1' | C2' | C3' | O3' | 81.1° | 139.0° |
C1' | C2' | C3' | C4' | 30.0° | 20.9° |
C1' | C2' | C3' | H3' | 151.8° | 97.4° |
C2' | C1' | O4' | C4' | 17.2° | 26.5° |
O4' | C1' | C2' | C3' | 28.9° | 2.1° |
O4' | C1' | C2' | H2' | 147.7° | 120.7° |
O4' | C1' | C2' | H2'A | 90.0° | 116.7° |
C1' | O4' | C4' | C3' | 2.2° | 40.1° |
C1' | O4' | C4' | C5' | 121.3° | 158.6° |
C1' | O4' | C4' | H4' | 119.3° | 78.5° |
H1' | C1' | C2' | C3' | 88.6° | 117.6° |
H1' | C1' | C2' | H2' | 30.2° | 1.1° |
H1' | C1' | C2' | H2'A | 152.6° | 123.7° |
H1' | C1' | O4' | C4' | 99.6° | 93.0° |
C3' | C2' | H2' | H2'A | 123.4° | 122.6° |
C2' | C3' | O3' | C4' | 112.2° | 112.7° |
C2' | C3' | O3' | H3' | 126.3° | 123.6° |
C2' | C3' | C4' | H3' | 121.8° | 118.2° |
C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
C2' | C3' | C4' | O4' | 20.8° | 37.0° |
C2' | C3' | C4' | C5' | 100.2° | 155.5° |
C2' | C3' | C4' | H4' | 138.6° | 81.6° |
H2' | C2' | C3' | O3' | 37.7° | 20.4° |
H2' | C2' | C3' | C4' | 148.8° | 97.8° |
H2' | C2' | C3' | H3' | 89.4° | 144.0° |
H2'A | C2' | C3' | O3' | 160.1° | 102.2° |
H2'A | C2' | C3' | C4' | 88.8° | 139.6° |
H2'A | C2' | C3' | H3' | 33.0° | 21.4° |
C21 | N23 | C24 | HN23 | 180.0° | 180.0° |
C21 | N23 | C24 | C25 | 97.9° | 180.0° |
C21 | N23 | C24 | H24 | 21.5° | 60.0° |
C21 | N23 | C24 | H24A | 142.7° | 60.0° |
O22 | C21 | N23 | C24 | 0.6° | 5.1° |
O22 | C21 | N23 | HN23 | 179.4° | 174.9° |
N23 | C24 | C25 | H24 | 119.4° | 120.0° |
N23 | C24 | C25 | H24A | 119.4° | 120.0° |
N23 | C24 | H24 | H24A | 121.7° | 120.0° |
N23 | C24 | C25 | C30 | 13.8° | 90.3° |
N23 | C24 | C25 | C26 | 165.7° | 90.0° |
HN23 | N23 | C24 | C25 | 82.1° | 0.0° |
HN23 | N23 | C24 | H24 | 158.5° | 120.0° |
HN23 | N23 | C24 | H24A | 37.3° | 120.0° |
C25 | C24 | H24 | H24A | 121.7° | 120.0° |
C24 | C25 | C30 | C26 | 179.6° | 179.7° |
C24 | C25 | C26 | C27 | 179.2° | 180.0° |
C24 | C25 | C26 | H26 | 0.8° | 0.0° |
C24 | C25 | C30 | C29 | 179.6° | 179.7° |
C24 | C25 | C30 | H30 | 0.4° | 0.0° |
H24 | C24 | C25 | C30 | 105.6° | 149.7° |
H24 | C24 | C25 | C26 | 74.8° | 30.0° |
H24A | C24 | C25 | C30 | 133.2° | 29.7° |
H24A | C24 | C25 | C26 | 46.3° | 150.0° |
C30 | C25 | C26 | C27 | 0.3° | 0.3° |
C30 | C25 | C26 | H26 | 179.6° | 179.7° |
C25 | C30 | C29 | C28 | 0.2° | 0.6° |
C25 | C30 | C29 | H30 | 180.0° | 179.7° |
C25 | C30 | C29 | H29 | 179.8° | 179.7° |
C25 | C26 | C27 | H26 | 180.0° | 180.0° |
C25 | C26 | C27 | C28 | 0.5° | 0.0° |
C25 | C26 | C27 | H27 | 179.5° | 179.9° |
C26 | C25 | C30 | C29 | 0.0° | 0.6° |
C26 | C25 | C30 | H30 | 180.0° | 179.7° |
C26 | C27 | C28 | H27 | 180.0° | 179.9° |
C26 | C27 | C28 | C29 | 0.3° | 0.0° |
C26 | C27 | C28 | H28 | 179.7° | 180.0° |
H26 | C26 | C27 | C28 | 179.4° | 180.0° |
H26 | C26 | C27 | H27 | 0.6° | 0.1° |
C27 | C28 | C29 | H28 | 180.0° | 180.0° |
C27 | C28 | C29 | C30 | 0.0° | 0.3° |
C27 | C28 | C29 | H29 | 180.0° | 180.0° |
H27 | C27 | C28 | C29 | 179.7° | 179.9° |
H27 | C27 | C28 | H28 | 0.3° | 0.1° |
C28 | C29 | C30 | H29 | 180.0° | 179.7° |
C28 | C29 | C30 | H30 | 179.8° | 179.7° |
H28 | C28 | C29 | C30 | 179.9° | 179.7° |
H28 | C28 | C29 | H29 | 0.1° | 0.0° |
H29 | C29 | C30 | H30 | 0.2° | 0.0° |
O3' | C3' | C4' | H3' | 122.4° | 123.7° |
O3' | C3' | C4' | O4' | 95.0° | 155.2° |
O3' | C3' | C4' | C5' | 144.0° | 86.3° |
O3' | C3' | C4' | H4' | 22.8° | 36.5° |
C4' | C3' | O3' | HO3' | 67.8° | 174.1° |
C3' | C4' | O4' | C5' | 123.6° | 118.5° |
C3' | C4' | O4' | H4' | 117.0° | 118.6° |
C3' | C4' | C5' | H4' | 121.3° | 122.9° |
C3' | C4' | C5' | O5' | 44.5° | 175.0° |
C3' | C4' | C5' | H5' | 164.6° | 55.0° |
C3' | C4' | C5' | H5'A | 75.6° | 65.0° |
H3' | C3' | O3' | HO3' | 53.7° | 62.2° |
H3' | C3' | C4' | O4' | 142.5° | 81.2° |
H3' | C3' | C4' | C5' | 21.6° | 37.3° |
H3' | C3' | C4' | H4' | 99.6° | 160.2° |
O4' | C4' | C5' | H4' | 120.2° | 123.0° |
O4' | C4' | C5' | O5' | 74.0° | 70.9° |
O4' | C4' | C5' | H5' | 46.1° | 169.1° |
O4' | C4' | C5' | H5'A | 165.9° | 49.1° |
C4' | C5' | O5' | H5' | 120.1° | 120.0° |
C4' | C5' | O5' | H5'A | 120.1° | 120.0° |
C4' | C5' | H5' | H5'A | 119.8° | 120.0° |
H4' | C4' | C5' | O5' | 165.8° | 52.1° |
H4' | C4' | C5' | H5' | 74.1° | 67.9° |
H4' | C4' | C5' | H5'A | 45.7° | 172.1° |
O5' | C5' | H5' | H5'A | 119.8° | 119.9° |