84T
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1P | P | sing | 1.61Å | 1.52Å | |
P | O2P | doub | 1.48Å | 1.51Å | |
P | N | sing | 1.64Å | 1.67Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
N | C | sing | 1.35Å | 1.35Å | |
C | CA | sing | 1.51Å | 1.51Å | |
C | O | doub | 1.21Å | 1.23Å | |
CA | CB | sing | 1.53Å | 1.51Å | |
CA | OH | sing | 1.43Å | 1.44Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | OHB | sing | 1.43Å | 1.44Å | |
CG | CD2 | sing | 1.53Å | 1.53Å | |
CG | CD1 | sing | 1.53Å | 1.53Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.55Å | 1.50Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
N7 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
C1' | HC1' | sing | 1.09Å | 1.10Å | |
O1P | H1P | sing | 0.97Å | 0.95Å | |
N | H | sing | 0.97Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
OH | HH | sing | 0.97Å | 0.95Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
OHB | HHB | sing | 0.97Å | 0.95Å | |
CD2 | HD21 | sing | 1.09Å | 1.10Å | |
CD2 | HD22 | sing | 1.09Å | 1.10Å | |
CD2 | HD23 | sing | 1.09Å | 1.10Å | |
CD1 | HD11 | sing | 1.09Å | 1.10Å | |
CD1 | HD12 | sing | 1.09Å | 1.10Å | |
CD1 | HD13 | sing | 1.09Å | 1.10Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C3' | H3'1 | sing | 1.09Å | 1.10Å | |
C3' | H3'2 | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HC | sing | 0.97Å | 0.95Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C6 | N6 | sing | 1.38Å | 1.34Å | |
N6 | HN61 | sing | 0.97Å | 1.00Å | |
N6 | HN62 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 122.8° | 109.4° |
O1P | P | N | 109.7° | 109.5° |
O1P | P | O5' | 103.6° | 109.5° |
P | O1P | H1P | 109.5° | 114.0° |
O2P | P | N | 107.5° | 109.5° |
O2P | P | O5' | 106.9° | 109.4° |
N | P | O5' | 104.9° | 109.5° |
P | N | C | 120.2° | 120.0° |
P | N | H | 119.9° | 120.0° |
P | O5' | C5' | 118.2° | 123.0° |
N | C | CA | 115.1° | 120.0° |
N | C | O | 124.5° | 120.0° |
C | N | H | 119.9° | 120.0° |
CA | C | O | 120.4° | 120.0° |
C | CA | CB | 108.9° | 109.5° |
C | CA | OH | 110.0° | 109.5° |
C | CA | HA | 109.8° | 109.4° |
CB | CA | OH | 107.4° | 109.5° |
CA | CB | CG | 114.5° | 109.4° |
CA | CB | OHB | 105.5° | 109.5° |
CB | CA | HA | 109.9° | 109.5° |
CA | CB | HB | 108.6° | 109.4° |
OH | CA | HA | 110.8° | 109.5° |
CA | OH | HH | 109.5° | 114.0° |
CG | CB | OHB | 110.2° | 109.5° |
CB | CG | CD2 | 113.6° | 109.5° |
CB | CG | CD1 | 110.5° | 109.5° |
CG | CB | HB | 108.3° | 109.5° |
CB | CG | HG | 107.7° | 109.5° |
OHB | CB | HB | 109.6° | 109.5° |
CB | OHB | HHB | 109.5° | 114.0° |
CD2 | CG | CD1 | 109.4° | 109.4° |
CD2 | CG | HG | 107.7° | 109.5° |
CG | CD2 | HD21 | 109.5° | 109.5° |
CG | CD2 | HD22 | 109.5° | 109.4° |
CG | CD2 | HD23 | 109.5° | 109.4° |
CD1 | CG | HG | 107.8° | 109.5° |
CG | CD1 | HD11 | 109.5° | 109.5° |
CG | CD1 | HD12 | 109.5° | 109.5° |
CG | CD1 | HD13 | 109.5° | 109.5° |
O5' | C5' | C4' | 111.4° | 109.5° |
O5' | C5' | H5'1 | 109.0° | 109.5° |
O5' | C5' | H5'2 | 109.0° | 109.5° |
C5' | C4' | C3' | 113.1° | 110.4° |
C5' | C4' | O4' | 110.2° | 110.4° |
C4' | C5' | H5'1 | 109.0° | 109.4° |
C4' | C5' | H5'2 | 109.0° | 109.5° |
C5' | C4' | H4' | 108.5° | 110.3° |
C3' | C4' | O4' | 106.9° | 104.8° |
C4' | C3' | C2' | 102.4° | 104.1° |
C3' | C4' | H4' | 108.4° | 110.3° |
C4' | C3' | H3'1 | 111.2° | 110.5° |
C4' | C3' | H3'2 | 111.2° | 110.5° |
C4' | O4' | C1' | 109.3° | 105.3° |
O4' | C4' | H4' | 109.9° | 110.5° |
C3' | C2' | O2' | 114.1° | 110.5° |
C3' | C2' | C1' | 103.4° | 104.1° |
C2' | C3' | H3'1 | 111.2° | 110.5° |
C2' | C3' | H3'2 | 111.2° | 110.5° |
C3' | C2' | H2' | 108.6° | 110.5° |
O2' | C2' | C1' | 111.6° | 110.5° |
O2' | C2' | H2' | 109.9° | 110.4° |
C2' | O2' | HC | 109.5° | 114.0° |
C2' | C1' | O4' | 107.9° | 104.8° |
C2' | C1' | N9 | 114.1° | 110.4° |
C2' | C1' | HC1' | 109.1° | 110.4° |
C1' | C2' | H2' | 108.8° | 110.6° |
O4' | C1' | N9 | 106.3° | 110.3° |
O4' | C1' | HC1' | 110.0° | 110.4° |
C1' | N9 | C4 | 122.1° | 126.3° |
C1' | N9 | C8 | 129.5° | 126.3° |
N9 | C1' | HC1' | 109.3° | 110.5° |
C4 | N9 | C8 | 108.2° | 107.4° |
N9 | C4 | N3 | 131.4° | 134.9° |
N9 | C4 | C5 | 107.8° | 106.0° |
N9 | C8 | N7 | 108.7° | 110.0° |
N9 | C8 | H8 | 125.6° | 125.0° |
N3 | C4 | C5 | 120.7° | 119.1° |
C4 | N3 | C2 | 119.5° | 120.6° |
C4 | C5 | N7 | 107.5° | 107.1° |
C4 | C5 | C6 | 117.7° | 118.2° |
N3 | C2 | N1 | 121.2° | 122.5° |
N3 | C2 | H2 | 119.4° | 118.8° |
C2 | N1 | C6 | 120.8° | 121.2° |
N1 | C2 | H2 | 119.4° | 118.8° |
C8 | N7 | C5 | 107.6° | 109.5° |
N7 | C8 | H8 | 125.6° | 125.0° |
N7 | C5 | C6 | 134.7° | 134.7° |
C5 | C6 | N1 | 120.0° | 118.4° |
C5 | C6 | N6 | 120.9° | 120.8° |
N1 | C6 | N6 | 119.1° | 120.8° |
HD21 | CD2 | HD22 | 109.5° | 109.5° |
HD21 | CD2 | HD23 | 109.5° | 109.6° |
HD22 | CD2 | HD23 | 109.5° | 109.4° |
HD11 | CD1 | HD12 | 109.5° | 109.5° |
HD11 | CD1 | HD13 | 109.4° | 109.4° |
HD12 | CD1 | HD13 | 109.5° | 109.5° |
H5'1 | C5' | H5'2 | 109.5° | 109.5° |
H3'1 | C3' | H3'2 | 109.5° | 110.6° |
C6 | N6 | HN61 | 109.5° | 120.0° |
C6 | N6 | HN62 | 109.5° | 120.0° |
HN61 | N6 | HN62 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | N | 128.6° | 120.0° |
O1P | P | O2P | O5' | 119.2° | 120.0° |
O1P | P | N | O5' | 110.7° | 120.1° |
O1P | P | N | C | 171.8° | 60.0° |
O1P | P | O5' | C5' | 58.2° | 170.0° |
O1P | P | N | H | 8.2° | 120.0° |
O2P | P | N | O5' | 113.6° | 120.0° |
O2P | P | N | C | 52.5° | 180.0° |
O2P | P | O5' | C5' | 170.8° | 50.0° |
O2P | P | O1P | H1P | 0.0° | 180.0° |
O2P | P | N | H | 127.5° | 0.0° |
P | N | C | H | 180.0° | 180.0° |
P | N | C | CA | 178.5° | 180.0° |
P | N | C | O | 1.3° | 0.0° |
N | P | O5' | C5' | 56.8° | 70.0° |
N | P | O1P | H1P | 127.6° | 60.0° |
O5' | P | N | C | 61.1° | 60.1° |
P | O5' | C5' | C4' | 157.8° | 180.0° |
O5' | P | O1P | H1P | 120.8° | 60.0° |
O5' | P | N | H | 118.9° | 120.0° |
P | O5' | C5' | H5'1 | 37.5° | 60.0° |
P | O5' | C5' | H5'2 | 81.9° | 60.0° |
N | C | CA | O | 179.8° | 180.0° |
N | C | CA | CB | 110.1° | 65.0° |
N | C | CA | OH | 7.3° | 175.0° |
N | C | CA | HA | 129.5° | 55.1° |
C | CA | CB | OH | 119.0° | 120.0° |
C | CA | CB | HA | 120.4° | 120.0° |
C | CA | OH | HA | 121.6° | 120.0° |
C | CA | CB | CG | 178.8° | 176.8° |
C | CA | CB | OHB | 59.7° | 56.8° |
CA | C | N | H | 1.5° | 0.0° |
C | CA | CB | HB | 57.7° | 63.2° |
C | CA | OH | HH | 180.0° | 59.9° |
O | C | CA | CB | 69.8° | 115.0° |
O | C | CA | OH | 172.9° | 5.0° |
O | C | N | H | 178.7° | 180.0° |
O | C | CA | HA | 50.6° | 125.0° |
CB | CA | OH | HA | 120.0° | 120.0° |
CA | CB | CG | OHB | 118.8° | 120.0° |
CA | CB | CG | HB | 121.3° | 120.0° |
CA | CB | OHB | HB | 116.7° | 120.0° |
CA | CB | CG | CD2 | 64.2° | 174.3° |
CA | CB | CG | CD1 | 172.4° | 65.7° |
CB | CA | OH | HH | 61.6° | 60.1° |
CA | CB | CG | HG | 55.0° | 54.3° |
CA | CB | OHB | HHB | 180.0° | 60.0° |
OH | CA | CB | CG | 62.1° | 56.8° |
OH | CA | CB | OHB | 59.3° | 63.2° |
OH | CA | CB | HB | 176.7° | 176.8° |
CG | CB | OHB | HB | 119.1° | 120.1° |
CB | CG | CD2 | CD1 | 124.0° | 120.0° |
CB | CG | CD2 | HG | 119.1° | 120.1° |
CB | CG | CD1 | HG | 117.4° | 120.1° |
CG | CB | CA | HA | 58.5° | 63.2° |
CG | CB | OHB | HHB | 55.8° | 60.0° |
CB | CG | CD2 | HD21 | 180.0° | 174.9° |
CB | CG | CD2 | HD22 | 60.0° | 65.1° |
CB | CG | CD2 | HD23 | 60.0° | 54.8° |
CB | CG | CD1 | HD11 | 180.0° | 60.0° |
CB | CG | CD1 | HD12 | 60.0° | 180.0° |
CB | CG | CD1 | HD13 | 60.0° | 59.9° |
OHB | CB | CG | CD2 | 177.0° | 54.4° |
OHB | CB | CG | CD1 | 53.6° | 174.3° |
OHB | CB | CA | HA | 179.9° | 176.8° |
OHB | CB | CG | HG | 63.8° | 65.7° |
CD2 | CG | CD1 | HG | 116.8° | 120.0° |
CD2 | CG | CB | HB | 57.1° | 65.7° |
CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
CG | CD2 | HD22 | HD23 | 120.0° | 119.9° |
CD2 | CG | CD1 | HD11 | 54.2° | 180.0° |
CD2 | CG | CD1 | HD12 | 174.2° | 60.0° |
CD2 | CG | CD1 | HD13 | 65.8° | 60.0° |
CD1 | CG | CB | HB | 66.3° | 54.2° |
CD1 | CG | CD2 | HD21 | 56.0° | 54.9° |
CD1 | CG | CD2 | HD22 | 64.0° | 174.9° |
CD1 | CG | CD2 | HD23 | 176.0° | 65.2° |
CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
CG | CD1 | HD12 | HD13 | 120.0° | 120.1° |
O5' | C5' | C4' | H5'1 | 120.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 120.3° | 120.0° |
O5' | C5' | C4' | C3' | 47.8° | 175.0° |
O5' | C5' | C4' | O4' | 71.7° | 69.6° |
O5' | C5' | H5'1 | H5'2 | 119.1° | 120.0° |
O5' | C5' | C4' | H4' | 168.0° | 52.8° |
C5' | C4' | C3' | O4' | 121.4° | 118.9° |
C5' | C4' | C3' | H4' | 120.3° | 122.2° |
C5' | C4' | O4' | H4' | 119.4° | 122.3° |
C5' | C4' | C3' | C2' | 149.4° | 142.8° |
C5' | C4' | O4' | C1' | 136.8° | 159.4° |
C4' | C5' | H5'1 | H5'2 | 119.1° | 119.9° |
C5' | C4' | C3' | H3'1 | 30.6° | 24.2° |
C5' | C4' | C3' | H3'2 | 91.7° | 98.5° |
C3' | C4' | O4' | H4' | 117.4° | 118.8° |
C4' | C3' | C2' | H3'1 | 118.9° | 118.6° |
C4' | C3' | C2' | H3'2 | 118.9° | 118.7° |
C4' | C3' | C2' | O2' | 152.5° | 118.6° |
C4' | C3' | C2' | C1' | 31.0° | 0.0° |
C3' | C4' | O4' | C1' | 13.6° | 40.5° |
C3' | C4' | C5' | H5'1 | 72.5° | 65.0° |
C3' | C4' | C5' | H5'2 | 168.1° | 54.9° |
C4' | C3' | H3'1 | H3'2 | 123.3° | 122.7° |
C4' | C3' | C2' | H2' | 84.5° | 118.8° |
O4' | C4' | C3' | C2' | 28.1° | 23.9° |
C4' | O4' | C1' | C2' | 6.8° | 40.5° |
C4' | O4' | C1' | N9 | 115.9° | 159.3° |
C4' | O4' | C1' | HC1' | 125.8° | 78.3° |
O4' | C4' | C5' | H5'1 | 168.0° | 50.4° |
O4' | C4' | C5' | H5'2 | 48.6° | 170.4° |
O4' | C4' | C3' | H3'1 | 90.8° | 94.7° |
O4' | C4' | C3' | H3'2 | 146.9° | 142.6° |
C3' | C2' | O2' | C1' | 116.8° | 114.7° |
C3' | C2' | O2' | H2' | 122.3° | 122.6° |
C3' | C2' | C1' | H2' | 115.4° | 118.7° |
C3' | C2' | C1' | O4' | 24.3° | 24.0° |
C3' | C2' | C1' | N9 | 93.5° | 142.8° |
C3' | C2' | C1' | HC1' | 143.8° | 94.8° |
C2' | C3' | C4' | H4' | 90.3° | 95.0° |
C2' | C3' | H3'1 | H3'2 | 123.3° | 122.7° |
C3' | C2' | O2' | HC | 180.0° | 61.4° |
O2' | C2' | C1' | H2' | 121.5° | 122.6° |
O2' | C2' | C1' | O4' | 147.5° | 94.7° |
O2' | C2' | C1' | N9 | 29.6° | 24.1° |
O2' | C2' | C1' | HC1' | 93.1° | 146.5° |
O2' | C2' | C3' | H3'1 | 33.6° | 0.0° |
O2' | C2' | C3' | H3'2 | 88.7° | 122.7° |
C2' | C1' | O4' | N9 | 122.8° | 118.8° |
C2' | C1' | O4' | HC1' | 118.9° | 118.8° |
C2' | C1' | N9 | HC1' | 122.5° | 122.4° |
C2' | C1' | N9 | C4 | 110.9° | 85.0° |
C2' | C1' | N9 | C8 | 73.6° | 95.3° |
C1' | C2' | C3' | H3'1 | 87.8° | 118.6° |
C1' | C2' | C3' | H3'2 | 149.9° | 118.6° |
C1' | C2' | O2' | HC | 63.2° | 176.1° |
O4' | C1' | N9 | HC1' | 118.7° | 122.3° |
O4' | C1' | N9 | C4 | 130.3° | 159.7° |
O4' | C1' | N9 | C8 | 45.1° | 20.1° |
C1' | O4' | C4' | H4' | 103.8° | 78.3° |
O4' | C1' | C2' | H2' | 91.0° | 142.7° |
C1' | N9 | C4 | C8 | 176.3° | 179.8° |
C1' | N9 | C4 | N3 | 2.6° | 0.0° |
C1' | N9 | C4 | C5 | 177.4° | 180.0° |
C1' | N9 | C8 | N7 | 177.4° | 180.0° |
N9 | C1' | C2' | H2' | 151.1° | 98.5° |
C1' | N9 | C8 | H8 | 2.6° | 0.0° |
N9 | C4 | N3 | C5 | 180.0° | 180.0° |
N9 | C4 | N3 | C2 | 179.9° | 180.0° |
C4 | N9 | C8 | N7 | 1.4° | 0.2° |
N9 | C4 | C5 | N7 | 0.4° | 0.1° |
N9 | C4 | C5 | C6 | 180.0° | 180.0° |
C4 | N9 | C1' | HC1' | 11.6° | 37.4° |
C4 | N9 | C8 | H8 | 178.5° | 179.8° |
C8 | N9 | C4 | N3 | 178.8° | 179.7° |
C8 | N9 | C4 | C5 | 1.1° | 0.2° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 1.2° | 0.2° |
C8 | N9 | C1' | HC1' | 163.8° | 142.4° |
C4 | N3 | C2 | N1 | 0.2° | 0.0° |
N3 | C4 | C5 | N7 | 179.6° | 179.9° |
N3 | C4 | C5 | C6 | 0.0° | 0.0° |
C4 | N3 | C2 | H2 | 179.8° | 180.0° |
C5 | C4 | N3 | C2 | 0.2° | 0.0° |
C4 | C5 | N7 | C8 | 0.5° | 0.0° |
C4 | C5 | N7 | C6 | 179.5° | 179.9° |
C4 | C5 | C6 | N1 | 0.5° | 0.0° |
C4 | C5 | C6 | N6 | 179.7° | 180.0° |
N3 | C2 | N1 | H2 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.7° | 0.0° |
C2 | N1 | C6 | C5 | 0.9° | 0.0° |
C2 | N1 | C6 | N6 | 179.9° | 180.0° |
C8 | N7 | C5 | C6 | 179.0° | 179.8° |
N7 | C5 | C6 | N1 | 180.0° | 179.9° |
C5 | N7 | C8 | H8 | 178.8° | 179.8° |
N7 | C5 | C6 | N6 | 0.8° | 0.2° |
C5 | C6 | N1 | N6 | 179.2° | 180.0° |
C5 | C6 | N6 | HN61 | 179.2° | 0.1° |
C5 | C6 | N6 | HN62 | 60.8° | 180.0° |
C6 | N1 | C2 | H2 | 179.2° | 180.0° |
N1 | C6 | N6 | HN61 | 0.0° | 179.9° |
N1 | C6 | N6 | HN62 | 120.0° | 0.0° |
HC1' | C1' | C2' | H2' | 28.5° | 23.9° |
HA | CA | CB | HB | 62.7° | 56.8° |
HA | CA | OH | HH | 58.4° | 179.9° |
HB | CB | CG | HG | 176.3° | 174.3° |
HB | CB | OHB | HHB | 63.3° | 180.0° |
HG | CG | CD2 | HD21 | 60.9° | 65.1° |
HG | CG | CD2 | HD22 | 179.1° | 54.9° |
HG | CG | CD2 | HD23 | 59.1° | 174.8° |
HG | CG | CD1 | HD11 | 62.6° | 60.0° |
HG | CG | CD1 | HD12 | 57.4° | 59.9° |
HG | CG | CD1 | HD13 | 177.4° | 180.0° |
HD21 | CD2 | HD22 | HD23 | 120.0° | 120.1° |
HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
H5'1 | C5' | C4' | H4' | 47.7° | 172.8° |
H5'2 | C5' | C4' | H4' | 71.7° | 67.2° |
H4' | C4' | C3' | H3'1 | 150.9° | 146.4° |
H4' | C4' | C3' | H3'2 | 28.6° | 23.7° |
H3'1 | C3' | C2' | H2' | 156.7° | 122.6° |
H3'2 | C3' | C2' | H2' | 34.4° | 0.1° |
H2' | C2' | O2' | HC | 57.7° | 61.2° |
C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |