PAZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O8 | P1 | sing | 1.61Å | 1.52Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
O6 | P1 | doub | 1.48Å | 1.55Å | |
P1 | O7 | sing | 1.61Å | 1.53Å | |
P1 | O2 | sing | 1.61Å | 1.64Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
O2 | C2 | sing | 1.43Å | 1.45Å | |
C2 | C1 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C4 | C1 | sing | 1.53Å | 1.53Å | |
C1 | C5 | sing | 1.53Å | 1.53Å | |
C1 | C3 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C4 | H4B | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C3 | H3B | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
C5 | O5' | sing | 1.43Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O5' | HO5' | sing | 0.97Å | 0.95Å | |
O6' | C6 | doub | 1.21Å | 1.33Å | |
C6 | N | sing | 1.35Å | 1.28Å | |
N | C8 | sing | 1.46Å | 1.46Å | |
N | HN | sing | 0.97Å | 1.00Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | C | sing | 1.51Å | 1.51Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
O | C | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.26Å | |
OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P1 | O8 | HO8 | 109.5° | 114.1° |
O8 | P1 | O6 | 106.6° | 109.5° |
O8 | P1 | O7 | 115.4° | 109.5° |
O8 | P1 | O2 | 100.2° | 109.5° |
O6 | P1 | O7 | 116.8° | 109.5° |
O6 | P1 | O2 | 112.6° | 109.4° |
O7 | P1 | O2 | 104.2° | 109.4° |
P1 | O7 | HO7 | 109.5° | 114.0° |
P1 | O2 | C2 | 129.3° | 123.0° |
O2 | C2 | C1 | 107.0° | 109.5° |
O2 | C2 | H2 | 110.3° | 109.5° |
O2 | C2 | H2A | 110.8° | 109.5° |
C1 | C2 | H2 | 110.3° | 109.4° |
C1 | C2 | H2A | 110.8° | 109.5° |
C2 | C1 | C4 | 106.8° | 109.5° |
C2 | C1 | C5 | 108.1° | 109.5° |
C2 | C1 | C3 | 113.2° | 109.5° |
H2 | C2 | H2A | 107.6° | 109.5° |
C4 | C1 | C5 | 111.9° | 109.5° |
C4 | C1 | C3 | 108.3° | 109.5° |
C1 | C4 | H4 | 109.5° | 109.4° |
C1 | C4 | H4A | 109.5° | 109.5° |
C1 | C4 | H4B | 109.5° | 109.5° |
C5 | C1 | C3 | 108.6° | 109.5° |
C1 | C5 | C6 | 115.5° | 109.5° |
C1 | C5 | O5' | 110.6° | 109.5° |
C1 | C5 | H5 | 103.9° | 109.4° |
C1 | C3 | H3 | 109.5° | 109.5° |
C1 | C3 | H3A | 109.5° | 109.4° |
C1 | C3 | H3B | 109.5° | 109.5° |
H4 | C4 | H4A | 109.5° | 109.5° |
H4 | C4 | H4B | 109.4° | 109.4° |
H4A | C4 | H4B | 109.5° | 109.5° |
H3 | C3 | H3A | 109.4° | 109.5° |
H3 | C3 | H3B | 109.5° | 109.4° |
H3A | C3 | H3B | 109.5° | 109.5° |
C6 | C5 | O5' | 107.7° | 109.5° |
C6 | C5 | H5 | 106.9° | 109.5° |
C5 | C6 | O6' | 119.1° | 120.0° |
C5 | C6 | N | 120.0° | 120.0° |
O5' | C5 | H5 | 112.2° | 109.5° |
C5 | O5' | HO5' | 109.5° | 114.0° |
O6' | C6 | N | 120.8° | 120.0° |
C6 | N | C8 | 126.1° | 120.0° |
C6 | N | HN | 117.0° | 120.0° |
C8 | N | HN | 116.9° | 120.0° |
N | C8 | C9 | 108.1° | 109.5° |
N | C8 | H8 | 109.9° | 109.4° |
N | C8 | H8A | 110.2° | 109.5° |
C9 | C8 | H8 | 109.9° | 109.5° |
C9 | C8 | H8A | 110.2° | 109.4° |
C8 | C9 | C | 114.7° | 109.5° |
C8 | C9 | H9 | 107.8° | 109.5° |
C8 | C9 | H9A | 106.6° | 109.4° |
H8 | C8 | H8A | 108.4° | 109.5° |
C | C9 | H9 | 107.8° | 109.5° |
C | C9 | H9A | 106.6° | 109.5° |
C9 | C | O | 121.4° | 120.1° |
C9 | C | OXT | 115.9° | 120.0° |
H9 | C9 | H9A | 113.6° | 109.5° |
O | C | OXT | 122.6° | 120.0° |
C | OXT | HOXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O8 | P1 | O6 | O7 | 130.7° | 120.0° |
O8 | P1 | O6 | O2 | 108.9° | 120.0° |
O8 | P1 | O7 | O2 | 108.7° | 120.0° |
O8 | P1 | O7 | HO7 | 84.6° | 60.0° |
O8 | P1 | O2 | C2 | 99.1° | 65.0° |
HO8 | O8 | P1 | O6 | 37.3° | 179.9° |
HO8 | O8 | P1 | O7 | 94.2° | 60.1° |
HO8 | O8 | P1 | O2 | 154.7° | 59.9° |
O6 | P1 | O7 | O2 | 124.8° | 120.0° |
O6 | P1 | O7 | HO7 | 149.0° | 60.0° |
O6 | P1 | O2 | C2 | 148.0° | 55.1° |
O7 | P1 | O2 | C2 | 20.5° | 175.0° |
O2 | P1 | O7 | HO7 | 24.1° | 180.0° |
P1 | O2 | C2 | C1 | 157.7° | 180.0° |
P1 | O2 | C2 | H2 | 82.3° | 60.0° |
P1 | O2 | C2 | H2A | 36.8° | 60.0° |
O2 | C2 | C1 | H2 | 120.0° | 120.0° |
O2 | C2 | C1 | H2A | 120.9° | 120.0° |
O2 | C2 | H2 | H2A | 121.0° | 120.1° |
O2 | C2 | C1 | C4 | 50.1° | 60.0° |
O2 | C2 | C1 | C5 | 70.5° | 180.0° |
O2 | C2 | C1 | C3 | 169.2° | 60.0° |
C1 | C2 | H2 | H2A | 121.0° | 120.0° |
C2 | C1 | C4 | C5 | 118.1° | 120.0° |
C2 | C1 | C4 | C3 | 122.3° | 120.0° |
C2 | C1 | C5 | C3 | 123.2° | 120.0° |
C2 | C1 | C4 | H4 | 5.4° | 66.4° |
C2 | C1 | C4 | H4A | 125.4° | 173.6° |
C2 | C1 | C4 | H4B | 114.6° | 53.6° |
C2 | C1 | C3 | H3 | 99.5° | 64.6° |
C2 | C1 | C3 | H3A | 20.4° | 175.4° |
C2 | C1 | C3 | H3B | 140.4° | 55.4° |
C2 | C1 | C5 | C6 | 171.0° | 54.4° |
C2 | C1 | C5 | O5' | 66.4° | 65.6° |
C2 | C1 | C5 | H5 | 54.2° | 174.4° |
H2 | C2 | C1 | C4 | 170.1° | 180.0° |
H2 | C2 | C1 | C5 | 49.5° | 60.0° |
H2 | C2 | C1 | C3 | 70.8° | 60.0° |
H2A | C2 | C1 | C4 | 70.9° | 60.0° |
H2A | C2 | C1 | C5 | 168.6° | 60.0° |
H2A | C2 | C1 | C3 | 48.2° | 180.0° |
C4 | C1 | C5 | C3 | 119.4° | 120.0° |
C1 | C4 | H4 | H4A | 120.0° | 120.0° |
C1 | C4 | H4 | H4B | 120.0° | 120.0° |
C1 | C4 | H4A | H4B | 120.0° | 120.0° |
C4 | C1 | C3 | H3 | 142.2° | 175.4° |
C4 | C1 | C3 | H3A | 97.9° | 55.4° |
C4 | C1 | C3 | H3B | 22.2° | 64.6° |
C4 | C1 | C5 | C6 | 53.6° | 65.6° |
C4 | C1 | C5 | O5' | 176.2° | 174.4° |
C4 | C1 | C5 | H5 | 63.2° | 54.4° |
C5 | C1 | C4 | H4 | 112.7° | 173.7° |
C5 | C1 | C4 | H4A | 7.2° | 53.7° |
C5 | C1 | C4 | H4B | 127.3° | 66.4° |
C5 | C1 | C3 | H3 | 20.5° | 55.4° |
C5 | C1 | C3 | H3A | 140.4° | 64.6° |
C5 | C1 | C3 | H3B | 99.5° | 175.4° |
C1 | C5 | C6 | O5' | 124.1° | 120.0° |
C1 | C5 | C6 | H5 | 115.1° | 120.0° |
C1 | C5 | O5' | H5 | 115.5° | 120.0° |
C1 | C5 | O5' | HO5' | 113.3° | 60.0° |
C1 | C5 | C6 | O6' | 78.3° | 111.5° |
C1 | C5 | C6 | N | 101.5° | 68.5° |
C3 | C1 | C4 | H4 | 127.6° | 53.7° |
C3 | C1 | C4 | H4A | 112.4° | 66.3° |
C3 | C1 | C4 | H4B | 7.6° | 173.6° |
C1 | C3 | H3 | H3A | 120.0° | 120.0° |
C1 | C3 | H3 | H3B | 120.0° | 120.0° |
C1 | C3 | H3A | H3B | 120.0° | 120.0° |
C3 | C1 | C5 | C6 | 65.9° | 174.4° |
C3 | C1 | C5 | O5' | 56.8° | 54.4° |
C3 | C1 | C5 | H5 | 177.4° | 65.6° |
H4 | C4 | H4A | H4B | 120.0° | 120.0° |
H3 | C3 | H3A | H3B | 120.0° | 120.0° |
C6 | C5 | O5' | H5 | 117.5° | 120.0° |
C6 | C5 | O5' | HO5' | 13.7° | 60.0° |
C5 | C6 | O6' | N | 179.8° | 180.0° |
C5 | C6 | N | C8 | 177.2° | 175.5° |
C5 | C6 | N | HN | 2.7° | 4.4° |
O5' | C5 | C6 | O6' | 157.5° | 8.5° |
O5' | C5 | C6 | N | 22.6° | 171.5° |
H5 | C5 | O5' | HO5' | 131.2° | 180.0° |
H5 | C5 | C6 | O6' | 36.7° | 128.6° |
H5 | C5 | C6 | N | 143.4° | 51.4° |
O6' | C6 | N | C8 | 2.9° | 4.5° |
O6' | C6 | N | HN | 177.1° | 175.6° |
C6 | N | C8 | HN | 180.0° | 179.9° |
C6 | N | C8 | C9 | 132.1° | 180.0° |
C6 | N | C8 | H8 | 12.1° | 60.0° |
C6 | N | C8 | H8A | 107.3° | 60.0° |
N | C8 | C9 | H8 | 120.0° | 120.0° |
N | C8 | C9 | H8A | 120.6° | 120.0° |
N | C8 | H8 | H8A | 120.6° | 120.0° |
N | C8 | C9 | C | 66.8° | 180.0° |
N | C8 | C9 | H9 | 53.2° | 60.0° |
N | C8 | C9 | H9A | 175.5° | 60.0° |
HN | N | C8 | C9 | 47.9° | 0.0° |
HN | N | C8 | H8 | 167.9° | 120.1° |
HN | N | C8 | H8A | 72.7° | 119.9° |
C9 | C8 | H8 | H8A | 120.6° | 120.0° |
C8 | C9 | C | H9 | 120.0° | 120.0° |
C8 | C9 | C | H9A | 117.6° | 119.9° |
C8 | C9 | H9 | H9A | 117.8° | 120.0° |
C8 | C9 | C | O | 26.8° | 0.0° |
C8 | C9 | C | OXT | 155.2° | 180.0° |
H8 | C8 | C9 | C | 173.2° | 60.0° |
H8 | C8 | C9 | H9 | 66.8° | 180.0° |
H8 | C8 | C9 | H9A | 55.5° | 60.0° |
H8A | C8 | C9 | C | 53.7° | 60.0° |
H8A | C8 | C9 | H9 | 173.8° | 60.0° |
H8A | C8 | C9 | H9A | 63.9° | 180.0° |
C | C9 | H9 | H9A | 117.9° | 120.0° |
C9 | C | O | OXT | 177.9° | 180.0° |
C9 | C | OXT | HOXT | 178.0° | 180.0° |
H9 | C9 | C | O | 93.2° | 120.0° |
H9 | C9 | C | OXT | 84.8° | 60.0° |
H9A | C9 | C | O | 144.4° | 120.0° |
H9A | C9 | C | OXT | 37.5° | 60.0° |
O | C | OXT | HOXT | 0.0° | 0.1° |