PHD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.44Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
N | H | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.54Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.32Å | |
CB | CG | sing | 1.51Å | 1.60Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CB | HB3 | sing | 1.09Å | 1.11Å | |
CG | OD1 | sing | 1.34Å | 1.33Å | |
CG | OD2 | doub | 1.21Å | 1.21Å | |
OD1 | P | sing | 1.61Å | 1.65Å | |
P | OP1 | doub | 1.48Å | 1.51Å | |
P | OP2 | sing | 1.61Å | 1.46Å | |
P | OP3 | sing | 1.61Å | 1.51Å | |
OP2 | H2O | sing | 0.97Å | 0.95Å | |
OP3 | H3O | 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) |
CA | N | H2 | 107.9° | 106.7° |
CA | N | H | 112.9° | 106.7° |
N | CA | C | 107.8° | 109.5° |
N | CA | CB | 103.7° | 109.5° |
N | CA | HA | 114.3° | 109.4° |
H2 | N | H | 112.7° | 106.7° |
C | CA | CB | 109.9° | 109.6° |
C | CA | HA | 108.6° | 109.4° |
CA | C | O | 118.0° | 120.0° |
CA | C | OXT | 118.9° | 120.0° |
CB | CA | HA | 112.4° | 109.5° |
CA | CB | CG | 111.4° | 109.5° |
CA | CB | HB2 | 111.5° | 109.5° |
CA | CB | HB3 | 111.5° | 109.5° |
O | C | OXT | 123.1° | 120.0° |
C | OXT | HXT | 118.9° | 120.0° |
CG | CB | HB2 | 111.5° | 109.5° |
CG | CB | HB3 | 111.5° | 109.5° |
CB | CG | OD1 | 116.8° | 120.1° |
CB | CG | OD2 | 116.0° | 120.0° |
HB2 | CB | HB3 | 98.8° | 109.4° |
OD1 | CG | OD2 | 126.3° | 119.9° |
CG | OD1 | P | 132.1° | 120.0° |
OD1 | P | OP1 | 104.3° | 109.5° |
OD1 | P | OP2 | 112.8° | 109.5° |
OD1 | P | OP3 | 104.9° | 109.5° |
OP1 | P | OP2 | 110.3° | 109.4° |
OP1 | P | OP3 | 114.4° | 109.5° |
OP2 | P | OP3 | 110.0° | 109.5° |
P | OP2 | H2O | 112.8° | 106.8° |
P | OP3 | H3O | 104.9° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H2 | H | 125.3° | 113.8° |
N | CA | C | CB | 112.4° | 120.1° |
N | CA | C | HA | 124.4° | 119.9° |
N | CA | CB | HA | 123.9° | 119.9° |
N | CA | C | O | 22.1° | 30.1° |
N | CA | C | OXT | 156.2° | 150.0° |
N | CA | CB | CG | 179.9° | 59.9° |
N | CA | CB | HB2 | 54.8° | 60.1° |
N | CA | CB | HB3 | 54.6° | 180.0° |
H2 | N | CA | C | 180.0° | 173.9° |
H2 | N | CA | CB | 63.4° | 53.7° |
H2 | N | CA | HA | 59.2° | 66.2° |
H | N | CA | C | 54.7° | 60.1° |
H | N | CA | CB | 61.8° | 60.1° |
H | N | CA | HA | 175.6° | 180.0° |
C | CA | CB | HA | 121.0° | 120.0° |
CA | C | O | OXT | 178.2° | 179.8° |
C | CA | CB | CG | 64.9° | 180.0° |
C | CA | CB | HB2 | 169.9° | 60.0° |
C | CA | CB | HB3 | 60.4° | 59.9° |
CA | C | OXT | HXT | 179.9° | 179.9° |
CB | CA | C | O | 90.3° | 89.9° |
CB | CA | C | OXT | 91.4° | 89.9° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | CG | HB3 | 125.3° | 120.1° |
CA | CB | HB2 | HB3 | 117.4° | 120.0° |
CA | CB | CG | OD1 | 38.7° | 180.0° |
CA | CB | CG | OD2 | 151.6° | 0.1° |
HA | CA | C | O | 146.5° | 150.1° |
HA | CA | C | OXT | 31.9° | 30.1° |
HA | CA | CB | CG | 56.1° | 60.0° |
HA | CA | CB | HB2 | 69.1° | 180.0° |
HA | CA | CB | HB3 | 178.6° | 60.1° |
O | C | OXT | HXT | 1.7° | 0.1° |
CG | CB | HB2 | HB3 | 117.4° | 120.0° |
CB | CG | OD1 | OD2 | 168.5° | 180.0° |
CB | CG | OD1 | P | 156.5° | 179.9° |
HB2 | CB | CG | OD1 | 86.6° | 60.0° |
HB2 | CB | CG | OD2 | 83.1° | 120.1° |
HB3 | CB | CG | OD1 | 164.0° | 59.9° |
HB3 | CB | CG | OD2 | 26.3° | 120.0° |
CG | OD1 | P | OP1 | 142.7° | 60.1° |
CG | OD1 | P | OP2 | 23.0° | 180.0° |
CG | OD1 | P | OP3 | 96.7° | 60.0° |
OD2 | CG | OD1 | P | 35.0° | 0.0° |
OD1 | P | OP1 | OP2 | 121.4° | 120.0° |
OD1 | P | OP1 | OP3 | 114.0° | 120.0° |
OD1 | P | OP2 | OP3 | 116.7° | 120.1° |
OD1 | P | OP2 | H2O | 180.0° | 180.0° |
OD1 | P | OP3 | H3O | 180.0° | 60.0° |
OP1 | P | OP2 | OP3 | 127.1° | 120.0° |
OP1 | P | OP2 | H2O | 63.8° | 60.0° |
OP1 | P | OP3 | H3O | 66.3° | 180.0° |
OP2 | P | OP3 | H3O | 58.4° | 60.0° |
OP3 | P | OP2 | H2O | 63.3° | 60.0° |