OPE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | CB | sing | 1.53Å | 1.08Å | |
CA | O4 | sing | 1.43Å | 1.48Å | |
CA | HA1 | sing | 1.09Å | 1.10Å | |
CA | HA2 | sing | 1.09Å | 1.10Å | |
CB | N | sing | 1.47Å | 1.71Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
O1 | P | sing | 1.61Å | 1.45Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | P | sing | 1.61Å | 1.48Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | P | doub | 1.48Å | 1.68Å | |
O4 | P | sing | 1.61Å | 1.65Å | |
N | HN1 | sing | 1.01Å | 1.00Å | |
N | HN2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CB | CA | O4 | 132.5° | 109.5° |
CB | CA | HA1 | 97.1° | 109.5° |
CB | CA | HA2 | 102.4° | 109.5° |
CA | CB | N | 91.6° | 109.5° |
CA | CB | HB1 | 119.3° | 109.5° |
CA | CB | HB2 | 115.9° | 109.5° |
O4 | CA | HA1 | 97.1° | 109.5° |
O4 | CA | HA2 | 102.4° | 109.4° |
CA | O4 | P | 132.1° | 106.9° |
HA1 | CA | HA2 | 129.9° | 109.5° |
N | CB | HB1 | 119.3° | 109.4° |
N | CB | HB2 | 115.9° | 109.5° |
CB | N | HN1 | 109.5° | 106.7° |
CB | N | HN2 | 109.5° | 106.7° |
HB1 | CB | HB2 | 96.6° | 109.4° |
P | O1 | HO1 | 109.5° | 106.8° |
O1 | P | O2 | 115.9° | 109.5° |
O1 | P | O3 | 110.9° | 109.4° |
O1 | P | O4 | 112.5° | 109.5° |
P | O2 | HO2 | 109.5° | 106.8° |
O2 | P | O3 | 111.8° | 109.4° |
O2 | P | O4 | 99.6° | 109.5° |
O3 | P | O4 | 105.2° | 109.5° |
HN1 | N | HN2 | 109.4° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CB | CA | O4 | HA1 | 106.4° | 120.0° |
CB | CA | O4 | HA2 | 120.0° | 120.1° |
CB | CA | HA1 | HA2 | 112.8° | 120.1° |
CA | CB | N | HB1 | 125.3° | 120.0° |
CA | CB | N | HB2 | 120.0° | 120.0° |
CA | CB | HB1 | HB2 | 124.7° | 120.0° |
CB | CA | O4 | P | 126.4° | 180.0° |
CA | CB | N | HN1 | 88.7° | 180.0° |
CA | CB | N | HN2 | 31.3° | 66.2° |
O4 | CA | HA1 | HA2 | 112.7° | 119.9° |
O4 | CA | CB | N | 64.5° | 60.0° |
O4 | CA | CB | HB1 | 170.3° | 60.0° |
O4 | CA | CB | HB2 | 55.5° | 179.9° |
CA | O4 | P | O1 | 38.7° | 60.0° |
CA | O4 | P | O2 | 162.0° | 180.0° |
CA | O4 | P | O3 | 82.1° | 60.0° |
HA1 | CA | CB | N | 170.9° | 60.0° |
HA1 | CA | CB | HB1 | 63.9° | 180.0° |
HA1 | CA | CB | HB2 | 50.9° | 60.0° |
HA1 | CA | O4 | P | 127.2° | 60.0° |
HA2 | CA | CB | N | 55.5° | 180.0° |
HA2 | CA | CB | HB1 | 69.7° | 60.0° |
HA2 | CA | CB | HB2 | 175.5° | 60.0° |
HA2 | CA | O4 | P | 6.4° | 60.0° |
N | CB | HB1 | HB2 | 124.7° | 120.0° |
CB | N | HN1 | HN2 | 120.0° | 113.8° |
HB1 | CB | N | HN1 | 146.0° | 60.0° |
HB1 | CB | N | HN2 | 94.0° | 53.8° |
HB2 | CB | N | HN1 | 31.3° | 59.9° |
HB2 | CB | N | HN2 | 151.3° | 173.8° |
O1 | P | O2 | O3 | 128.3° | 119.9° |
O1 | P | O2 | O4 | 120.9° | 120.0° |
O1 | P | O2 | HO2 | 77.9° | 59.9° |
O1 | P | O3 | O4 | 121.9° | 120.0° |
HO1 | O1 | P | O2 | 103.0° | 60.0° |
HO1 | O1 | P | O3 | 128.2° | 180.0° |
HO1 | O1 | P | O4 | 10.7° | 60.0° |
O2 | P | O3 | O4 | 107.1° | 120.1° |
HO2 | O2 | P | O3 | 50.4° | 60.0° |
HO2 | O2 | P | O4 | 161.2° | 180.0° |