YTH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1P | P | doub | 1.48Å | 1.48Å | |
O2P | P | sing | 1.61Å | 1.69Å | |
P | O3P | sing | 1.61Å | 1.61Å | |
P | OG1 | sing | 1.61Å | 1.59Å | |
N | CA | sing | 1.47Å | 1.47Å | |
OG1 | CB | sing | 1.43Å | 1.43Å | |
CB | CA | sing | 1.53Å | 1.56Å | |
CB | CG2 | sing | 1.53Å | 1.54Å | |
CA | C | sing | 1.51Å | 1.56Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.34Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CG2 | HG21 | sing | 1.09Å | 1.10Å | |
CG2 | HG22 | sing | 1.09Å | 1.10Å | |
CG2 | HG23 | sing | 1.09Å | 1.10Å | |
O2P | H9 | sing | 0.97Å | 0.95Å | |
O3P | H10 | sing | 0.97Å | 0.95Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 113.3° | 109.5° |
O1P | P | O3P | 110.7° | 109.4° |
O1P | P | OG1 | 119.7° | 109.4° |
O2P | P | O3P | 110.8° | 109.5° |
O2P | P | OG1 | 103.7° | 109.5° |
P | O2P | H9 | 109.5° | 114.0° |
O3P | P | OG1 | 97.4° | 109.5° |
P | O3P | H10 | 109.5° | 114.0° |
P | OG1 | CB | 122.6° | 123.0° |
N | CA | CB | 108.7° | 109.5° |
N | CA | C | 108.2° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 107.4° | 109.4° |
OG1 | CB | CA | 110.4° | 109.5° |
OG1 | CB | CG2 | 109.7° | 109.5° |
OG1 | CB | HB | 109.1° | 109.5° |
CA | CB | CG2 | 112.2° | 109.5° |
CB | CA | C | 119.0° | 109.4° |
CB | CA | HA | 106.5° | 109.5° |
CA | CB | HB | 107.6° | 109.4° |
CG2 | CB | HB | 107.8° | 109.5° |
CB | CG2 | HG21 | 109.5° | 109.5° |
CB | CG2 | HG22 | 109.5° | 109.5° |
CB | CG2 | HG23 | 109.5° | 109.4° |
CA | C | O | 122.8° | 120.0° |
CA | C | OXT | 112.6° | 120.0° |
C | CA | HA | 106.5° | 109.5° |
O | C | OXT | 123.5° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
H | N | H2 | 109.5° | 111.0° |
HG21 | CG2 | HG22 | 109.5° | 109.5° |
HG21 | CG2 | HG23 | 109.5° | 109.4° |
HG22 | CG2 | HG23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 125.1° | 120.0° |
O1P | P | O2P | OG1 | 131.3° | 120.0° |
O1P | P | O3P | OG1 | 125.7° | 119.9° |
O1P | P | OG1 | CB | 23.3° | 55.0° |
O1P | P | O2P | H9 | 0.0° | 180.0° |
O1P | P | O3P | H10 | 0.0° | 60.1° |
O2P | P | O3P | OG1 | 107.8° | 120.0° |
O2P | P | OG1 | CB | 104.2° | 65.0° |
O2P | P | O3P | H10 | 126.5° | 60.0° |
O3P | P | OG1 | CB | 142.2° | 175.0° |
O3P | P | O2P | H9 | 125.1° | 60.0° |
P | OG1 | CB | CA | 111.3° | 120.0° |
P | OG1 | CB | CG2 | 124.5° | 120.0° |
P | OG1 | CB | HB | 6.7° | 0.0° |
OG1 | P | O2P | H9 | 131.3° | 60.0° |
OG1 | P | O3P | H10 | 125.7° | 180.0° |
N | CA | CB | OG1 | 46.2° | 180.0° |
N | CA | CB | C | 124.4° | 120.0° |
N | CA | CB | HA | 115.5° | 120.0° |
N | CA | CB | CG2 | 168.9° | 60.0° |
N | CA | C | HA | 115.2° | 120.0° |
N | CA | C | O | 35.9° | 20.0° |
N | CA | C | OXT | 132.8° | 159.9° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | HB | 72.7° | 60.0° |
OG1 | CB | CA | CG2 | 122.7° | 120.0° |
OG1 | CB | CA | HB | 118.9° | 120.0° |
OG1 | CB | CG2 | HB | 118.7° | 120.0° |
OG1 | CB | CA | C | 78.2° | 60.0° |
OG1 | CB | CA | HA | 161.7° | 60.0° |
OG1 | CB | CG2 | HG21 | 180.0° | 179.9° |
OG1 | CB | CG2 | HG22 | 60.0° | 60.0° |
OG1 | CB | CG2 | HG23 | 60.0° | 60.0° |
CA | CB | CG2 | HB | 118.3° | 120.0° |
CB | CA | C | HA | 120.2° | 120.0° |
CB | CA | C | O | 88.7° | 100.0° |
CB | CA | C | OXT | 102.6° | 80.0° |
CB | CA | N | H | 180.0° | 176.0° |
CB | CA | N | H2 | 60.0° | 59.9° |
CA | CB | CG2 | HG21 | 56.9° | 59.9° |
CA | CB | CG2 | HG22 | 176.9° | 180.0° |
CA | CB | CG2 | HG23 | 63.1° | 60.0° |
CG2 | CB | CA | C | 44.5° | 180.0° |
CG2 | CB | CA | HA | 75.6° | 60.0° |
CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
CB | CG2 | HG21 | HG23 | 120.0° | 119.9° |
CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
CA | C | O | OXT | 167.4° | 179.9° |
C | CA | N | H | 49.5° | 64.0° |
C | CA | N | H2 | 70.5° | 60.0° |
C | CA | CB | HB | 162.9° | 60.0° |
CA | C | OXT | HXT | 168.5° | 180.0° |
O | C | CA | HA | 151.1° | 139.9° |
O | C | OXT | HXT | 0.0° | 0.1° |
OXT | C | CA | HA | 17.5° | 40.0° |
H | N | CA | HA | 65.1° | 56.0° |
H2 | N | CA | HA | 174.9° | 180.0° |
HA | CA | CB | HB | 42.8° | 180.0° |
HB | CB | CG2 | HG21 | 61.3° | 60.0° |
HB | CB | CG2 | HG22 | 58.7° | 60.1° |
HB | CB | CG2 | HG23 | 178.6° | 180.0° |
HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |