4UW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C36 | O35 | sing | 1.43Å | 1.43Å | |
O3P | P | doub | 1.48Å | 1.50Å | |
O34 | CAR | doub | 1.22Å | 1.23Å | |
O35 | CAD | sing | 1.36Å | 1.38Å | |
CAJ | CAD | doub | 1.35Å | 1.39Å | |
CAJ | CAK | sing | 1.46Å | 1.39Å | |
CAD | CAC | sing | 1.42Å | 1.39Å | |
N6 | C6 | sing | 1.38Å | 1.35Å | |
CAP | CAK | sing | 1.47Å | 1.48Å | |
CAP | CAQ | doub | 1.35Å | 1.33Å | |
N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
CAK | CAH | doub | 1.35Å | 1.40Å | |
CAR | CAQ | sing | 1.46Å | 1.48Å | |
CAR | O2P | sing | 1.35Å | 1.45Å | |
C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
CAC | OBF | doub | 1.21Å | 1.27Å | |
CAC | CAS | sing | 1.51Å | 1.40Å | |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
CAH | CAS | sing | 1.51Å | 1.40Å | |
C5 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
O4' | C1' | sing | 1.44Å | 1.44Å | |
O4' | C4' | sing | 1.44Å | 1.43Å | |
P | O2P | sing | 1.61Å | 1.61Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
P | O1P | sing | 1.61Å | 1.50Å | |
C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.49Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C1' | C2' | sing | 1.55Å | 1.52Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C2' | O2' | sing | 1.43Å | 1.44Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
O1P | H3 | sing | 0.97Å | 0.95Å | |
CAQ | H4 | sing | 1.08Å | 1.08Å | |
CAP | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.08Å | 1.08Å | |
CAS | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
C36 | H9 | sing | 1.09Å | 1.10Å | |
C36 | H10 | sing | 1.09Å | 1.10Å | |
C36 | H11 | sing | 1.09Å | 1.10Å | |
CAJ | H12 | sing | 1.08Å | 1.08Å | |
C5' | H13 | sing | 1.09Å | 1.10Å | |
C5' | H14 | sing | 1.09Å | 1.10Å | |
C4' | H15 | sing | 1.09Å | 1.10Å | |
C1' | H16 | sing | 1.09Å | 1.10Å | |
C2' | H17 | sing | 1.09Å | 1.10Å | |
O2' | H18 | sing | 0.97Å | 0.95Å | |
C3' | H19 | sing | 1.09Å | 1.10Å | |
O3' | H20 | sing | 0.97Å | 0.95Å | |
N6 | H21 | sing | 0.97Å | 1.00Å | |
N6 | H22 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C36 | O35 | CAD | 121.6° | 117.0° |
O35 | C36 | H9 | 109.5° | 109.5° |
O35 | C36 | H10 | 109.5° | 109.4° |
O35 | C36 | H11 | 109.5° | 109.4° |
O3P | P | O2P | 110.7° | 109.4° |
O3P | P | O5' | 108.7° | 109.5° |
O3P | P | O1P | 120.2° | 109.5° |
O34 | CAR | CAQ | 122.6° | 120.1° |
O34 | CAR | O2P | 120.0° | 120.0° |
O35 | CAD | CAJ | 119.2° | 119.5° |
O35 | CAD | CAC | 120.4° | 119.4° |
CAD | CAJ | CAK | 120.5° | 122.6° |
CAJ | CAD | CAC | 120.4° | 121.1° |
CAD | CAJ | H12 | 119.7° | 118.7° |
CAJ | CAK | CAP | 118.0° | 119.4° |
CAJ | CAK | CAH | 119.3° | 121.3° |
CAK | CAJ | H12 | 119.7° | 118.7° |
CAD | CAC | OBF | 119.8° | 120.7° |
CAD | CAC | CAS | 119.6° | 118.5° |
N6 | C6 | N1 | 117.7° | 120.7° |
N6 | C6 | C5 | 122.7° | 120.8° |
C6 | N6 | H21 | 109.5° | 120.0° |
C6 | N6 | H22 | 109.4° | 120.0° |
CAK | CAP | CAQ | 122.9° | 120.0° |
CAP | CAK | CAH | 122.7° | 119.4° |
CAK | CAP | H5 | 118.6° | 120.0° |
CAP | CAQ | CAR | 121.1° | 120.0° |
CAP | CAQ | H4 | 119.5° | 119.9° |
CAQ | CAP | H5 | 118.6° | 119.9° |
C6 | N1 | C2 | 121.3° | 121.2° |
N1 | C6 | C5 | 119.5° | 118.5° |
N1 | C2 | N3 | 120.8° | 122.4° |
N1 | C2 | H1 | 119.6° | 118.8° |
CAK | CAH | CAS | 119.9° | 118.7° |
CAK | CAH | H6 | 120.0° | 120.6° |
CAQ | CAR | O2P | 117.4° | 120.0° |
CAR | CAQ | H4 | 119.5° | 120.1° |
CAR | O2P | P | 124.8° | 114.0° |
C6 | C5 | N7 | 135.3° | 134.7° |
C6 | C5 | C4 | 117.8° | 118.1° |
OBF | CAC | CAS | 120.7° | 120.8° |
CAC | CAS | CAH | 120.2° | 117.8° |
CAC | CAS | H7 | 106.7° | 107.8° |
CAC | CAS | H8 | 106.7° | 107.8° |
C2 | N3 | C4 | 120.2° | 120.6° |
N3 | C2 | H1 | 119.6° | 118.8° |
CAS | CAH | H6 | 120.0° | 120.7° |
CAH | CAS | H7 | 106.7° | 107.7° |
CAH | CAS | H8 | 106.7° | 107.8° |
N7 | C5 | C4 | 106.9° | 107.1° |
C5 | N7 | C8 | 107.4° | 109.5° |
C5 | C4 | N3 | 120.3° | 119.1° |
C5 | C4 | N9 | 108.2° | 106.0° |
N3 | C4 | N9 | 131.5° | 134.9° |
N7 | C8 | N9 | 109.1° | 109.9° |
N7 | C8 | H2 | 125.4° | 125.0° |
C4 | N9 | C8 | 108.4° | 107.5° |
C4 | N9 | C1' | 124.5° | 126.3° |
C1' | O4' | C4' | 109.0° | 105.3° |
O4' | C1' | N9 | 108.8° | 110.4° |
O4' | C1' | C2' | 106.5° | 104.8° |
O4' | C1' | H16 | 111.2° | 110.4° |
O4' | C4' | C5' | 112.4° | 110.4° |
O4' | C4' | C3' | 104.3° | 104.8° |
O4' | C4' | H15 | 110.4° | 110.4° |
O2P | P | O5' | 104.0° | 109.5° |
O2P | P | O1P | 102.8° | 109.5° |
O5' | P | O1P | 109.2° | 109.5° |
P | O5' | C5' | 120.2° | 123.0° |
P | O1P | H3 | 109.5° | 113.9° |
C8 | N9 | C1' | 127.0° | 126.3° |
N9 | C8 | H2 | 125.4° | 125.0° |
N9 | C1' | C2' | 109.9° | 110.4° |
N9 | C1' | H16 | 110.4° | 110.4° |
O5' | C5' | C4' | 109.3° | 109.5° |
O5' | C5' | H13 | 109.5° | 109.4° |
O5' | C5' | H14 | 109.5° | 109.4° |
C1' | C2' | O2' | 108.5° | 110.5° |
C1' | C2' | C3' | 102.3° | 104.1° |
C2' | C1' | H16 | 110.0° | 110.4° |
C1' | C2' | H17 | 111.4° | 110.5° |
C5' | C4' | C3' | 111.2° | 110.4° |
C4' | C5' | H13 | 109.5° | 109.5° |
C4' | C5' | H14 | 109.5° | 109.5° |
C5' | C4' | H15 | 109.2° | 110.3° |
C4' | C3' | C2' | 100.8° | 104.1° |
C4' | C3' | O3' | 113.4° | 110.5° |
C3' | C4' | H15 | 109.2° | 110.3° |
C4' | C3' | H19 | 108.8° | 110.5° |
O2' | C2' | C3' | 109.8° | 110.5° |
O2' | C2' | H17 | 112.8° | 110.5° |
C2' | O2' | H18 | 109.5° | 114.0° |
C2' | C3' | O3' | 114.5° | 110.5° |
C3' | C2' | H17 | 111.5° | 110.7° |
C2' | C3' | H19 | 108.8° | 110.5° |
O3' | C3' | H19 | 110.0° | 110.6° |
C3' | O3' | H20 | 109.5° | 114.0° |
H7 | CAS | H8 | 109.4° | 107.6° |
H9 | C36 | H10 | 109.4° | 109.5° |
H9 | C36 | H11 | 109.5° | 109.5° |
H10 | C36 | H11 | 109.5° | 109.5° |
H13 | C5' | H14 | 109.5° | 109.5° |
H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C36 | O35 | CAD | CAJ | 106.4° | 0.3° |
C36 | O35 | CAD | CAC | 74.5° | 180.0° |
O35 | C36 | H9 | H10 | 120.0° | 120.0° |
O35 | C36 | H9 | H11 | 120.0° | 119.9° |
O35 | C36 | H10 | H11 | 120.0° | 119.9° |
O3P | P | O2P | CAR | 58.3° | 55.1° |
O3P | P | O2P | O5' | 116.6° | 120.0° |
O3P | P | O2P | O1P | 129.6° | 120.0° |
O3P | P | O5' | O1P | 132.9° | 120.0° |
O3P | P | O5' | C5' | 166.4° | 55.0° |
O3P | P | O1P | H3 | 0.0° | 180.0° |
O34 | CAR | CAQ | CAP | 27.5° | 0.1° |
O34 | CAR | CAQ | O2P | 179.5° | 179.9° |
O34 | CAR | O2P | P | 13.6° | 0.1° |
O34 | CAR | CAQ | H4 | 152.5° | 180.0° |
O35 | CAD | CAJ | CAC | 179.1° | 179.8° |
O35 | CAD | CAJ | CAK | 179.5° | 179.7° |
O35 | CAD | CAC | OBF | 0.9° | 0.1° |
O35 | CAD | CAC | CAS | 179.2° | 180.0° |
CAD | O35 | C36 | H9 | 180.0° | 60.0° |
CAD | O35 | C36 | H10 | 60.0° | 180.0° |
CAD | O35 | C36 | H11 | 60.0° | 60.0° |
O35 | CAD | CAJ | H12 | 0.5° | 0.3° |
CAD | CAJ | CAK | H12 | 180.0° | 179.4° |
CAD | CAJ | CAK | CAP | 179.2° | 179.7° |
CAD | CAJ | CAK | CAH | 0.7° | 0.5° |
CAJ | CAD | CAC | OBF | 179.9° | 179.7° |
CAJ | CAD | CAC | CAS | 0.1° | 0.3° |
CAK | CAJ | CAD | CAC | 0.4° | 0.6° |
CAJ | CAK | CAP | CAH | 179.9° | 179.8° |
CAJ | CAK | CAP | CAQ | 178.4° | 0.3° |
CAJ | CAK | CAH | CAS | 0.6° | 0.2° |
CAJ | CAK | CAP | H5 | 1.6° | 179.8° |
CAJ | CAK | CAH | H6 | 179.3° | 179.8° |
CAD | CAC | OBF | CAS | 180.0° | 180.0° |
CAD | CAC | CAS | CAH | 0.1° | 0.0° |
CAD | CAC | CAS | H7 | 121.6° | 122.1° |
CAD | CAC | CAS | H8 | 121.4° | 122.0° |
CAC | CAD | CAJ | H12 | 179.6° | 180.0° |
N6 | C6 | N1 | C5 | 179.6° | 179.9° |
N6 | C6 | N1 | C2 | 179.4° | 180.0° |
N6 | C6 | C5 | N7 | 0.6° | 0.1° |
N6 | C6 | C5 | C4 | 179.0° | 179.9° |
C6 | N6 | H21 | H22 | 120.0° | 179.9° |
CAK | CAP | CAQ | H5 | 180.0° | 180.0° |
CAK | CAP | CAQ | CAR | 179.2° | 180.0° |
CAP | CAK | CAH | CAS | 179.2° | 180.0° |
CAK | CAP | CAQ | H4 | 0.8° | 0.0° |
CAP | CAK | CAH | H6 | 0.8° | 0.0° |
CAP | CAK | CAJ | H12 | 0.8° | 0.2° |
CAQ | CAP | CAK | CAH | 1.7° | 179.9° |
CAP | CAQ | CAR | H4 | 180.0° | 179.9° |
CAP | CAQ | CAR | O2P | 153.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.2° | 0.0° |
N1 | C6 | C5 | N7 | 179.9° | 180.0° |
N1 | C6 | C5 | C4 | 0.6° | 0.0° |
C6 | N1 | C2 | H1 | 179.8° | 180.0° |
N1 | C6 | N6 | H21 | 0.0° | 0.0° |
N1 | C6 | N6 | H22 | 120.0° | 180.0° |
C2 | N1 | C6 | C5 | 0.1° | 0.0° |
N1 | C2 | N3 | H1 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.0° |
CAK | CAH | CAS | CAC | 0.3° | 0.0° |
CAK | CAH | CAS | H6 | 180.0° | 180.0° |
CAH | CAK | CAP | H5 | 178.3° | 0.0° |
CAK | CAH | CAS | H7 | 121.9° | 122.2° |
CAK | CAH | CAS | H8 | 121.2° | 122.0° |
CAH | CAK | CAJ | H12 | 179.3° | 180.0° |
CAQ | CAR | O2P | P | 165.9° | 180.0° |
CAR | CAQ | CAP | H5 | 0.8° | 0.1° |
CAR | O2P | P | O5' | 58.2° | 175.0° |
CAR | O2P | P | O1P | 172.1° | 65.0° |
O2P | CAR | CAQ | H4 | 27.0° | 0.1° |
C6 | C5 | N7 | C4 | 179.6° | 180.0° |
C6 | C5 | C4 | N3 | 0.6° | 0.0° |
C6 | C5 | N7 | C8 | 179.7° | 180.0° |
C6 | C5 | C4 | N9 | 180.0° | 179.9° |
C5 | C6 | N6 | H21 | 179.6° | 180.0° |
C5 | C6 | N6 | H22 | 59.5° | 0.1° |
OBF | CAC | CAS | CAH | 180.0° | 180.0° |
OBF | CAC | CAS | H7 | 58.4° | 57.9° |
OBF | CAC | CAS | H8 | 58.5° | 57.9° |
CAC | CAS | CAH | H7 | 121.5° | 122.1° |
CAC | CAS | CAH | H8 | 121.5° | 122.1° |
CAC | CAS | CAH | H6 | 179.6° | 180.0° |
CAC | CAS | H7 | H8 | 115.1° | 116.0° |
C2 | N3 | C4 | C5 | 0.3° | 0.0° |
C2 | N3 | C4 | N9 | 179.5° | 179.9° |
CAH | CAS | H7 | H8 | 115.1° | 115.9° |
N7 | C5 | C4 | N3 | 179.7° | 180.0° |
N7 | C5 | C4 | N9 | 0.3° | 0.1° |
C5 | N7 | C8 | N9 | 0.2° | 0.0° |
C5 | N7 | C8 | H2 | 179.8° | 180.0° |
C5 | C4 | N3 | N9 | 179.2° | 179.9° |
C4 | C5 | N7 | C8 | 0.1° | 0.0° |
C5 | C4 | N9 | C8 | 0.4° | 0.1° |
C5 | C4 | N9 | C1' | 179.7° | 180.0° |
N3 | C4 | N9 | C8 | 179.7° | 180.0° |
N3 | C4 | N9 | C1' | 0.4° | 0.1° |
C4 | N3 | C2 | H1 | 179.9° | 180.0° |
N7 | C8 | N9 | C4 | 0.4° | 0.1° |
N7 | C8 | N9 | H2 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 179.7° | 180.0° |
C4 | N9 | C1' | O4' | 160.6° | 156.5° |
C4 | N9 | C8 | C1' | 179.9° | 179.9° |
C4 | N9 | C1' | C2' | 83.2° | 88.1° |
C4 | N9 | C8 | H2 | 179.6° | 180.0° |
C4 | N9 | C1' | H16 | 38.3° | 34.2° |
O4' | C1' | N9 | C8 | 19.3° | 23.6° |
O4' | C1' | N9 | C2' | 116.2° | 115.4° |
O4' | C1' | N9 | H16 | 122.3° | 122.3° |
O4' | C1' | C2' | H16 | 120.6° | 118.8° |
C1' | O4' | C4' | C5' | 146.8° | 159.3° |
C1' | O4' | C4' | C3' | 26.3° | 40.5° |
O4' | C1' | C2' | O2' | 92.4° | 142.6° |
O4' | C1' | C2' | C3' | 23.6° | 24.0° |
C1' | O4' | C4' | H15 | 90.9° | 78.4° |
O4' | C1' | C2' | H17 | 142.8° | 94.8° |
C4' | O4' | C1' | N9 | 120.0° | 159.3° |
O4' | C4' | C5' | O5' | 59.1° | 69.6° |
C4' | O4' | C1' | C2' | 1.5° | 40.5° |
O4' | C4' | C5' | C3' | 116.5° | 115.4° |
O4' | C4' | C5' | H15 | 122.9° | 122.3° |
O4' | C4' | C3' | H15 | 118.0° | 118.9° |
O4' | C4' | C3' | C2' | 40.0° | 23.9° |
O4' | C4' | C3' | O3' | 162.9° | 142.6° |
O4' | C4' | C5' | H13 | 60.9° | 50.4° |
O4' | C4' | C5' | H14 | 179.1° | 170.4° |
C4' | O4' | C1' | H16 | 118.3° | 78.4° |
O4' | C4' | C3' | H19 | 74.3° | 94.7° |
O2P | P | O5' | O1P | 109.1° | 120.0° |
O2P | P | O5' | C5' | 48.5° | 175.0° |
O2P | P | O1P | H3 | 123.5° | 60.0° |
P | O5' | C5' | C4' | 171.4° | 180.0° |
O5' | P | O1P | H3 | 126.6° | 60.0° |
P | O5' | C5' | H13 | 51.4° | 60.0° |
P | O5' | C5' | H14 | 68.6° | 60.0° |
O1P | P | O5' | C5' | 60.7° | 65.0° |
C8 | N9 | C1' | C2' | 96.9° | 91.8° |
C8 | N9 | C1' | H16 | 141.6° | 145.9° |
N9 | C1' | C2' | H16 | 121.7° | 122.3° |
N9 | C1' | C2' | O2' | 149.9° | 98.5° |
N9 | C1' | C2' | C3' | 94.0° | 142.8° |
C1' | N9 | C8 | H2 | 0.3° | 0.0° |
N9 | C1' | C2' | H17 | 25.2° | 24.0° |
O5' | C5' | C4' | H13 | 120.0° | 120.0° |
O5' | C5' | C4' | H14 | 120.0° | 120.0° |
O5' | C5' | C4' | C3' | 175.6° | 175.0° |
O5' | C5' | H13 | H14 | 120.1° | 120.0° |
O5' | C5' | C4' | H15 | 63.8° | 52.7° |
C1' | C2' | C3' | C4' | 38.0° | 0.0° |
C1' | C2' | O2' | C3' | 111.1° | 114.6° |
C1' | C2' | O2' | H17 | 124.0° | 122.6° |
C1' | C2' | C3' | H17 | 119.2° | 118.7° |
C1' | C2' | C3' | O3' | 160.1° | 118.6° |
C1' | C2' | O2' | H18 | 180.0° | 180.0° |
C1' | C2' | C3' | H19 | 76.3° | 118.6° |
C5' | C4' | C3' | H15 | 120.6° | 122.2° |
C5' | C4' | C3' | C2' | 161.4° | 142.8° |
C5' | C4' | C3' | O3' | 75.7° | 98.5° |
C4' | C5' | H13 | H14 | 120.1° | 120.0° |
C5' | C4' | C3' | H19 | 47.0° | 24.2° |
C4' | C3' | C2' | O2' | 77.1° | 118.7° |
C4' | C3' | C2' | O3' | 122.1° | 118.7° |
C4' | C3' | C2' | H19 | 114.3° | 118.6° |
C4' | C3' | O3' | H19 | 122.1° | 122.7° |
C3' | C4' | C5' | H13 | 55.6° | 65.0° |
C3' | C4' | C5' | H14 | 64.4° | 55.0° |
C4' | C3' | C2' | H17 | 157.2° | 118.7° |
C4' | C3' | O3' | H20 | 180.0° | 180.0° |
O2' | C2' | C3' | H17 | 125.7° | 122.7° |
O2' | C2' | C3' | O3' | 45.0° | 0.0° |
O2' | C2' | C1' | H16 | 28.2° | 23.8° |
O2' | C2' | C3' | H19 | 168.6° | 122.7° |
C2' | C3' | O3' | H19 | 122.9° | 122.7° |
C2' | C3' | C4' | H15 | 78.0° | 95.0° |
C3' | C2' | C1' | H16 | 144.2° | 94.8° |
C3' | C2' | O2' | H18 | 68.9° | 65.4° |
C2' | C3' | O3' | H20 | 65.1° | 65.4° |
O3' | C3' | C4' | H15 | 44.9° | 23.7° |
O3' | C3' | C2' | H17 | 80.7° | 122.7° |
H4 | CAQ | CAP | H5 | 179.2° | 180.0° |
H6 | CAH | CAS | H7 | 58.1° | 57.9° |
H6 | CAH | CAS | H8 | 58.8° | 58.0° |
H9 | C36 | H10 | H11 | 120.0° | 120.1° |
H13 | C5' | C4' | H15 | 176.2° | 172.7° |
H14 | C5' | C4' | H15 | 56.1° | 67.2° |
H15 | C4' | C3' | H19 | 167.6° | 146.4° |
H16 | C1' | C2' | H17 | 96.5° | 146.4° |
H17 | C2' | O2' | H18 | 56.1° | 57.4° |
H17 | C2' | C3' | H19 | 42.9° | 0.1° |
H19 | C3' | O3' | H20 | 57.9° | 57.3° |