BQL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C6 | doub | 1.35Å | 1.38Å | |
C5 | C4 | sing | 1.42Å | 1.38Å | |
C6 | N1 | sing | 1.37Å | 1.33Å | |
O4 | C4 | doub | 1.22Å | 1.25Å | |
C4 | N3 | sing | 1.35Å | 1.34Å | |
N1 | C1' | sing | 1.46Å | 1.46Å | |
N1 | C2 | sing | 1.35Å | 1.42Å | |
O3 | C2' | sing | 1.43Å | 1.43Å | |
C1' | C2' | sing | 1.55Å | 1.51Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
N3 | C2 | sing | 1.35Å | 1.34Å | |
C2' | C3' | sing | 1.55Å | 1.51Å | |
C2 | O2 | doub | 1.22Å | 1.25Å | |
O4' | C3 | sing | 1.44Å | 1.42Å | |
O1 | C3' | sing | 1.43Å | 1.42Å | |
C3' | C3 | sing | 1.54Å | 1.51Å | |
C3 | C5' | sing | 1.53Å | 1.52Å | |
N | CA | sing | 1.47Å | 1.49Å | |
O | C | doub | 1.21Å | 1.25Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
O5' | P | sing | 1.61Å | 1.60Å | |
CA | C | sing | 1.51Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
OP2 | P | doub | 1.48Å | 1.49Å | |
P | OP3 | sing | 1.61Å | 1.60Å | |
P | OP1 | sing | 1.61Å | 1.50Å | |
OP3 | CB | sing | 1.43Å | 1.42Å | |
N | H1 | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | H4 | sing | 1.09Å | 1.10Å | |
C | H5 | sing | 1.08Å | 1.08Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
CB | H7 | sing | 1.09Å | 1.10Å | |
C1' | H8 | sing | 1.09Å | 1.10Å | |
C2' | H9 | sing | 1.09Å | 1.10Å | |
C3 | H10 | sing | 1.09Å | 1.10Å | |
C3' | H11 | sing | 1.09Å | 1.10Å | |
C5 | H12 | sing | 1.08Å | 1.08Å | |
C5' | H13 | sing | 1.09Å | 1.10Å | |
C5' | H14 | sing | 1.09Å | 1.10Å | |
C6 | H15 | sing | 1.08Å | 1.08Å | |
N3 | H16 | sing | 0.97Å | 1.00Å | |
O1 | H17 | sing | 0.97Å | 0.95Å | |
O3 | H18 | sing | 0.97Å | 0.95Å | |
OP1 | H19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C5 | C4 | 119.2° | 119.1° |
C5 | C6 | N1 | 119.9° | 119.7° |
C6 | C5 | H12 | 120.4° | 120.4° |
C5 | C6 | H15 | 120.1° | 120.1° |
C5 | C4 | O4 | 119.5° | 120.3° |
C5 | C4 | N3 | 120.4° | 119.4° |
C4 | C5 | H12 | 120.4° | 120.5° |
C6 | N1 | C1' | 115.6° | 119.7° |
C6 | N1 | C2 | 120.2° | 120.6° |
N1 | C6 | H15 | 120.1° | 120.2° |
O4 | C4 | N3 | 120.1° | 120.3° |
C4 | N3 | C2 | 121.3° | 120.3° |
C4 | N3 | H16 | 119.3° | 119.8° |
C1' | N1 | C2 | 124.2° | 119.7° |
N1 | C1' | C2' | 108.0° | 110.6° |
N1 | C1' | O4' | 112.6° | 110.6° |
N1 | C1' | H8 | 109.2° | 110.7° |
N1 | C2 | N3 | 119.0° | 121.0° |
N1 | C2 | O2 | 123.2° | 119.5° |
O3 | C2' | C1' | 108.0° | 110.9° |
O3 | C2' | C3' | 111.0° | 110.9° |
O3 | C2' | H9 | 111.7° | 110.9° |
C2' | O3 | H18 | 109.5° | 114.0° |
C2' | C1' | O4' | 108.7° | 103.5° |
C1' | C2' | C3' | 105.0° | 102.1° |
C2' | C1' | H8 | 108.6° | 110.6° |
C1' | C2' | H9 | 110.5° | 110.9° |
C1' | O4' | C3 | 110.4° | 107.0° |
O4' | C1' | H8 | 109.7° | 110.6° |
N3 | C2 | O2 | 117.8° | 119.5° |
C2 | N3 | H16 | 119.3° | 119.9° |
C2' | C3' | O1 | 109.5° | 110.5° |
C2' | C3' | C3 | 106.7° | 104.2° |
C3' | C2' | H9 | 110.5° | 110.9° |
C2' | C3' | H11 | 110.3° | 110.5° |
O4' | C3 | C3' | 107.4° | 107.3° |
O4' | C3 | C5' | 109.3° | 109.9° |
O4' | C3 | H10 | 110.1° | 110.0° |
O1 | C3' | C3 | 108.3° | 110.5° |
O1 | C3' | H11 | 111.6° | 110.5° |
C3' | O1 | H17 | 109.5° | 114.0° |
C3' | C3 | C5' | 112.4° | 109.9° |
C3' | C3 | H10 | 108.9° | 109.8° |
C3 | C3' | H11 | 110.3° | 110.5° |
C3 | C5' | O5' | 108.0° | 109.4° |
C5' | C3 | H10 | 108.8° | 109.9° |
C3 | C5' | H13 | 109.9° | 109.5° |
C3 | C5' | H14 | 109.8° | 109.5° |
N | CA | C | 113.3° | 109.5° |
N | CA | CB | 109.5° | 109.5° |
CA | N | H1 | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | H4 | 108.5° | 109.5° |
O | C | CA | 119.9° | 120.0° |
O | C | H5 | 120.1° | 120.0° |
C5' | O5' | P | 121.3° | 123.0° |
O5' | C5' | H13 | 109.9° | 109.5° |
O5' | C5' | H14 | 109.8° | 109.5° |
O5' | P | OP2 | 110.3° | 109.5° |
O5' | P | OP3 | 110.4° | 109.5° |
O5' | P | OP1 | 110.8° | 109.4° |
C | CA | CB | 109.1° | 109.4° |
C | CA | H4 | 108.3° | 109.5° |
CA | C | H5 | 120.0° | 120.0° |
CA | CB | OP3 | 110.2° | 109.4° |
CB | CA | H4 | 108.1° | 109.5° |
CA | CB | H6 | 109.3° | 109.5° |
CA | CB | H7 | 109.3° | 109.5° |
OP2 | P | OP3 | 105.1° | 109.5° |
OP2 | P | OP1 | 108.1° | 109.5° |
OP3 | P | OP1 | 111.9° | 109.5° |
P | OP3 | CB | 117.1° | 123.0° |
P | OP1 | H19 | 109.5° | 114.0° |
OP3 | CB | H6 | 109.3° | 109.5° |
OP3 | CB | H7 | 109.3° | 109.5° |
H1 | N | H2 | 109.5° | 111.0° |
H6 | CB | H7 | 109.5° | 109.5° |
H13 | C5' | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C5 | C4 | H12 | 180.0° | 179.7° |
C5 | C6 | N1 | H15 | 180.0° | 179.7° |
C6 | C5 | C4 | O4 | 179.5° | 179.7° |
C6 | C5 | C4 | N3 | 1.6° | 0.3° |
C5 | C6 | N1 | C1' | 179.0° | 180.0° |
C5 | C6 | N1 | C2 | 0.0° | 0.0° |
C4 | C5 | C6 | N1 | 1.1° | 0.3° |
C5 | C4 | O4 | N3 | 178.8° | 180.0° |
C5 | C4 | N3 | C2 | 0.9° | 0.0° |
C4 | C5 | C6 | H15 | 178.8° | 180.0° |
C5 | C4 | N3 | H16 | 179.0° | 179.9° |
C6 | N1 | C1' | C2 | 179.0° | 180.0° |
C6 | N1 | C1' | C2' | 98.8° | 115.0° |
C6 | N1 | C1' | O4' | 141.1° | 131.0° |
C6 | N1 | C2 | N3 | 0.7° | 0.3° |
C6 | N1 | C2 | O2 | 179.3° | 180.0° |
C6 | N1 | C1' | H8 | 19.1° | 8.0° |
N1 | C6 | C5 | H12 | 178.9° | 180.0° |
O4 | C4 | N3 | C2 | 179.8° | 180.0° |
O4 | C4 | C5 | H12 | 0.4° | 0.0° |
O4 | C4 | N3 | H16 | 0.2° | 0.1° |
C4 | N3 | C2 | N1 | 0.2° | 0.2° |
C4 | N3 | C2 | H16 | 180.0° | 179.8° |
C4 | N3 | C2 | O2 | 179.8° | 180.0° |
N3 | C4 | C5 | H12 | 178.4° | 180.0° |
N1 | C1' | C2' | O3 | 109.5° | 86.3° |
N1 | C1' | C2' | O4' | 122.5° | 118.5° |
N1 | C1' | C2' | H8 | 118.3° | 123.0° |
N1 | C1' | O4' | H8 | 121.8° | 123.0° |
C1' | N1 | C2 | N3 | 179.6° | 179.8° |
N1 | C1' | C2' | C3' | 132.1° | 155.5° |
C1' | N1 | C2 | O2 | 0.4° | 0.0° |
N1 | C1' | O4' | C3 | 133.8° | 158.6° |
N1 | C1' | C2' | H9 | 13.0° | 37.3° |
C1' | N1 | C6 | H15 | 1.0° | 0.3° |
C2 | N1 | C1' | C2' | 80.1° | 65.0° |
C2 | N1 | C1' | O4' | 39.9° | 49.1° |
N1 | C2 | N3 | O2 | 180.0° | 179.8° |
C2 | N1 | C1' | H8 | 162.0° | 172.0° |
C2 | N1 | C6 | H15 | 180.0° | 179.7° |
N1 | C2 | N3 | H16 | 179.8° | 179.6° |
O3 | C2' | C1' | C3' | 118.4° | 118.2° |
O3 | C2' | C1' | H9 | 122.5° | 123.6° |
O3 | C2' | C1' | O4' | 128.0° | 155.2° |
O3 | C2' | C3' | H9 | 124.5° | 123.6° |
O3 | C2' | C3' | O1 | 1.3° | 20.3° |
O3 | C2' | C3' | C3 | 118.4° | 139.1° |
O3 | C2' | C1' | H8 | 8.8° | 36.7° |
O3 | C2' | C3' | H11 | 121.8° | 102.3° |
C2' | C1' | O4' | H8 | 118.5° | 118.5° |
C1' | C2' | C3' | H9 | 119.2° | 118.2° |
C2' | C1' | O4' | C3 | 14.1° | 40.1° |
C1' | C2' | C3' | O1 | 115.1° | 97.8° |
C1' | C2' | C3' | C3 | 2.0° | 20.9° |
C1' | C2' | C3' | H11 | 121.8° | 139.5° |
C1' | C2' | O3 | H18 | 180.0° | 180.0° |
O4' | C1' | C2' | C3' | 9.6° | 37.1° |
C1' | O4' | C3 | C3' | 12.6° | 26.5° |
C1' | O4' | C3 | C5' | 134.8° | 145.9° |
O4' | C1' | C2' | H9 | 109.5° | 81.1° |
C1' | O4' | C3 | H10 | 105.8° | 92.9° |
C2' | C3' | C3 | O4' | 6.2° | 2.0° |
C2' | C3' | O1 | C3 | 116.1° | 114.8° |
C2' | C3' | O1 | H11 | 122.4° | 122.6° |
C2' | C3' | C3 | H11 | 119.8° | 118.6° |
C2' | C3' | C3 | C5' | 126.4° | 121.5° |
C3' | C2' | C1' | H8 | 109.6° | 81.4° |
C2' | C3' | C3 | H10 | 113.0° | 117.6° |
C2' | C3' | O1 | H17 | 180.0° | 61.4° |
C3' | C2' | O3 | H18 | 65.5° | 67.4° |
O2 | C2 | N3 | H16 | 0.2° | 0.2° |
O4' | C3 | C3' | O1 | 124.0° | 120.7° |
O4' | C3 | C3' | C5' | 120.2° | 119.4° |
O4' | C3 | C3' | H10 | 119.2° | 119.6° |
O4' | C3 | C5' | H10 | 120.2° | 121.2° |
O4' | C3 | C5' | O5' | 61.4° | 66.9° |
C3 | O4' | C1' | H8 | 104.4° | 78.4° |
O4' | C3 | C3' | H11 | 113.6° | 116.6° |
O4' | C3 | C5' | H13 | 178.8° | 173.1° |
O4' | C3 | C5' | H14 | 58.3° | 53.1° |
O1 | C3' | C3 | H11 | 122.3° | 122.6° |
O1 | C3' | C3 | C5' | 115.7° | 119.8° |
O1 | C3' | C2' | H9 | 125.8° | 144.0° |
O1 | C3' | C3 | H10 | 4.8° | 1.2° |
C3' | C3 | C5' | H10 | 120.6° | 120.9° |
C3' | C3 | C5' | O5' | 179.5° | 175.3° |
C3 | C3' | C2' | H9 | 117.2° | 97.3° |
C3' | C3 | C5' | H13 | 59.7° | 55.3° |
C3' | C3 | C5' | H14 | 60.8° | 64.8° |
C3 | C3' | O1 | H17 | 64.0° | 176.2° |
C3 | C5' | O5' | H13 | 119.8° | 120.0° |
C3 | C5' | O5' | H14 | 119.7° | 120.0° |
C3 | C5' | O5' | P | 138.3° | 180.0° |
C5' | C3 | C3' | H11 | 6.6° | 2.8° |
C3 | C5' | H13 | H14 | 120.7° | 120.0° |
N | CA | C | O | 137.8° | 0.0° |
N | CA | C | CB | 122.2° | 120.0° |
N | CA | C | H4 | 120.4° | 120.1° |
N | CA | CB | H4 | 118.0° | 120.0° |
N | CA | CB | OP3 | 60.2° | 65.0° |
CA | N | H1 | H2 | 120.0° | 124.0° |
N | CA | C | H5 | 42.2° | 180.0° |
N | CA | CB | H6 | 59.9° | 55.0° |
N | CA | CB | H7 | 179.6° | 175.0° |
O | C | CA | H5 | 180.0° | 180.0° |
O | C | CA | CB | 100.0° | 120.0° |
O | C | CA | H4 | 17.4° | 120.0° |
C5' | O5' | P | OP2 | 94.7° | 55.0° |
C5' | O5' | P | OP3 | 149.5° | 175.0° |
C5' | O5' | P | OP1 | 25.0° | 65.0° |
O5' | C5' | C3 | H10 | 58.8° | 54.3° |
O5' | C5' | H13 | H14 | 120.7° | 120.0° |
O5' | P | OP2 | OP3 | 119.0° | 120.0° |
O5' | P | OP2 | OP1 | 121.3° | 120.0° |
O5' | P | OP3 | OP1 | 123.9° | 120.0° |
O5' | P | OP3 | CB | 132.1° | 175.0° |
P | O5' | C5' | H13 | 18.5° | 60.0° |
P | O5' | C5' | H14 | 102.0° | 60.0° |
O5' | P | OP1 | H19 | 121.0° | 60.0° |
C | CA | CB | H4 | 117.6° | 120.0° |
C | CA | CB | OP3 | 175.3° | 175.0° |
C | CA | N | H1 | 180.0° | 64.0° |
C | CA | N | H2 | 60.0° | 60.0° |
C | CA | CB | H6 | 64.6° | 65.0° |
C | CA | CB | H7 | 55.2° | 55.0° |
CA | CB | OP3 | P | 100.0° | 180.0° |
CA | CB | OP3 | H6 | 120.1° | 120.0° |
CA | CB | OP3 | H7 | 120.1° | 120.0° |
CB | CA | N | H1 | 58.0° | 176.0° |
CB | CA | N | H2 | 178.1° | 59.9° |
CB | CA | C | H5 | 80.0° | 60.0° |
CA | CB | H6 | H7 | 119.6° | 120.0° |
OP2 | P | OP3 | OP1 | 117.1° | 120.0° |
OP2 | P | OP3 | CB | 13.2° | 55.0° |
OP2 | P | OP1 | H19 | 0.0° | 180.0° |
P | OP3 | CB | H6 | 139.9° | 60.0° |
P | OP3 | CB | H7 | 20.1° | 60.0° |
OP3 | P | OP1 | H19 | 115.3° | 60.0° |
OP1 | P | OP3 | CB | 104.0° | 65.0° |
OP3 | CB | CA | H4 | 57.7° | 55.0° |
OP3 | CB | H6 | H7 | 119.7° | 120.0° |
H1 | N | CA | H4 | 59.7° | 56.0° |
H2 | N | CA | H4 | 60.3° | 179.9° |
H4 | CA | C | H5 | 162.6° | 60.0° |
H4 | CA | CB | H6 | 177.8° | 175.0° |
H4 | CA | CB | H7 | 62.4° | 65.0° |
H8 | C1' | C2' | H9 | 131.2° | 160.4° |
H9 | C2' | C3' | H11 | 2.6° | 21.3° |
H9 | C2' | O3 | H18 | 58.2° | 56.3° |
H10 | C3 | C3' | H11 | 127.2° | 123.8° |
H10 | C3 | C5' | H13 | 61.0° | 65.7° |
H10 | C3 | C5' | H14 | 178.6° | 174.3° |
H11 | C3' | O1 | H17 | 57.6° | 61.2° |
H12 | C5 | C6 | H15 | 1.1° | 0.3° |