AHS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.47Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | CH | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD1 | sing | 1.53Å | 1.53Å | |
CG | CD2 | sing | 1.53Å | 1.53Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CD1 | CE1 | sing | 1.53Å | 1.53Å | |
CD1 | HD12 | sing | 1.09Å | 1.10Å | |
CD1 | HD13 | sing | 1.09Å | 1.10Å | |
CD2 | CE2 | sing | 1.53Å | 1.53Å | |
CD2 | HD23 | sing | 1.09Å | 1.10Å | |
CD2 | HD22 | sing | 1.09Å | 1.10Å | |
CE1 | CZ | sing | 1.53Å | 1.53Å | |
CE1 | HE12 | sing | 1.09Å | 1.10Å | |
CE1 | HE13 | sing | 1.09Å | 1.10Å | |
CE2 | CZ | sing | 1.53Å | 1.53Å | |
CE2 | HE23 | sing | 1.09Å | 1.10Å | |
CE2 | HE22 | sing | 1.09Å | 1.10Å | |
CZ | HZ2 | sing | 1.09Å | 1.10Å | |
CZ | HZ3 | sing | 1.09Å | 1.10Å | |
CH | OH | sing | 1.43Å | 1.43Å | |
CH | CM | sing | 1.53Å | 1.53Å | |
CH | HH | sing | 1.09Å | 1.10Å | |
OH | HO | sing | 0.97Å | 0.95Å | |
CM | N1 | sing | 1.47Å | 1.47Å | |
CM | HM1 | sing | 1.09Å | 1.10Å | |
CM | HM2 | sing | 1.09Å | 1.10Å | |
N1 | CB2 | sing | 1.47Å | 1.47Å | |
N1 | C | sing | 1.35Å | 1.32Å | |
CB2 | CG2 | sing | 1.53Å | 1.52Å | |
CB2 | HB21 | sing | 1.09Å | 1.10Å | |
CB2 | HB22 | sing | 1.09Å | 1.10Å | |
CG2 | CD3 | sing | 1.53Å | 1.52Å | |
CG2 | CD4 | sing | 1.53Å | 1.52Å | |
CG2 | HG2 | sing | 1.09Å | 1.10Å | |
CD3 | HD31 | sing | 1.09Å | 1.10Å | |
CD3 | HD32 | sing | 1.09Å | 1.10Å | |
CD3 | HD33 | sing | 1.09Å | 1.10Å | |
CD4 | HD41 | sing | 1.09Å | 1.10Å | |
CD4 | HD42 | sing | 1.09Å | 1.10Å | |
CD4 | HD43 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.22Å | 1.23Å | |
C | OXT | sing | 1.35Å | 1.32Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.4° | 111.0° |
N | CA | CB | 110.3° | 109.5° |
N | CA | CH | 109.6° | 109.5° |
N | CA | HA | 109.5° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
CB | CA | CH | 111.5° | 109.4° |
CB | CA | HA | 107.5° | 109.5° |
CA | CB | CG | 112.8° | 109.5° |
CA | CB | HB2 | 108.4° | 109.5° |
CA | CB | HB3 | 108.4° | 109.5° |
CH | CA | HA | 108.3° | 109.5° |
CA | CH | OH | 109.2° | 109.5° |
CA | CH | CM | 111.3° | 109.4° |
CA | CH | HH | 108.5° | 109.5° |
CG | CB | HB2 | 108.4° | 109.5° |
CG | CB | HB3 | 108.4° | 109.4° |
CB | CG | CD1 | 113.7° | 109.5° |
CB | CG | CD2 | 111.8° | 109.5° |
CB | CG | HG | 105.1° | 109.5° |
HB2 | CB | HB3 | 110.5° | 109.5° |
CD1 | CG | CD2 | 110.3° | 109.5° |
CD1 | CG | HG | 106.8° | 109.5° |
CG | CD1 | CE1 | 109.6° | 109.4° |
CG | CD1 | HD12 | 109.4° | 109.5° |
CG | CD1 | HD13 | 109.4° | 109.5° |
CD2 | CG | HG | 108.9° | 109.5° |
CG | CD2 | CE2 | 110.9° | 109.4° |
CG | CD2 | HD23 | 109.0° | 109.4° |
CG | CD2 | HD22 | 109.0° | 109.5° |
CE1 | CD1 | HD12 | 109.4° | 109.5° |
CE1 | CD1 | HD13 | 109.4° | 109.5° |
CD1 | CE1 | CZ | 111.5° | 109.5° |
CD1 | CE1 | HE12 | 108.8° | 109.4° |
CD1 | CE1 | HE13 | 108.8° | 109.5° |
HD12 | CD1 | HD13 | 109.5° | 109.5° |
CE2 | CD2 | HD23 | 109.0° | 109.5° |
CE2 | CD2 | HD22 | 109.0° | 109.5° |
CD2 | CE2 | CZ | 111.6° | 109.5° |
CD2 | CE2 | HE23 | 108.8° | 109.5° |
CD2 | CE2 | HE22 | 108.8° | 109.4° |
HD23 | CD2 | HD22 | 109.9° | 109.5° |
CZ | CE1 | HE12 | 108.8° | 109.5° |
CZ | CE1 | HE13 | 108.8° | 109.5° |
CE1 | CZ | CE2 | 112.0° | 109.4° |
CE1 | CZ | HZ2 | 108.6° | 109.5° |
CE1 | CZ | HZ3 | 108.7° | 109.5° |
HE12 | CE1 | HE13 | 110.1° | 109.4° |
CZ | CE2 | HE23 | 108.8° | 109.5° |
CZ | CE2 | HE22 | 108.7° | 109.4° |
CE2 | CZ | HZ2 | 108.7° | 109.5° |
CE2 | CZ | HZ3 | 108.6° | 109.5° |
HE23 | CE2 | HE22 | 110.2° | 109.5° |
HZ2 | CZ | HZ3 | 110.3° | 109.5° |
OH | CH | CM | 109.6° | 109.5° |
OH | CH | HH | 110.2° | 109.5° |
CH | OH | HO | 109.5° | 114.0° |
CM | CH | HH | 108.1° | 109.4° |
CH | CM | N1 | 108.9° | 109.5° |
CH | CM | HM1 | 109.7° | 109.5° |
CH | CM | HM2 | 109.6° | 109.5° |
N1 | CM | HM1 | 109.7° | 109.5° |
N1 | CM | HM2 | 109.7° | 109.5° |
CM | N1 | CB2 | 119.6° | 120.0° |
CM | N1 | C | 119.3° | 120.0° |
HM1 | CM | HM2 | 109.2° | 109.5° |
CB2 | N1 | C | 120.9° | 120.0° |
N1 | CB2 | CG2 | 111.8° | 109.5° |
N1 | CB2 | HB21 | 108.7° | 109.4° |
N1 | CB2 | HB22 | 108.7° | 109.4° |
N1 | C | O | 119.3° | 120.0° |
N1 | C | OXT | 119.8° | 120.0° |
CG2 | CB2 | HB21 | 108.7° | 109.5° |
CG2 | CB2 | HB22 | 108.7° | 109.5° |
CB2 | CG2 | CD3 | 111.7° | 109.4° |
CB2 | CG2 | CD4 | 112.6° | 109.5° |
CB2 | CG2 | HG2 | 106.9° | 109.5° |
HB21 | CB2 | HB22 | 110.2° | 109.5° |
CD3 | CG2 | CD4 | 112.8° | 109.5° |
CD3 | CG2 | HG2 | 106.7° | 109.5° |
CG2 | CD3 | HD31 | 109.5° | 109.4° |
CG2 | CD3 | HD32 | 109.5° | 109.4° |
CG2 | CD3 | HD33 | 109.5° | 109.5° |
CD4 | CG2 | HG2 | 105.6° | 109.5° |
CG2 | CD4 | HD41 | 109.5° | 109.4° |
CG2 | CD4 | HD42 | 109.5° | 109.5° |
CG2 | CD4 | HD43 | 109.4° | 109.4° |
HD31 | CD3 | HD32 | 109.5° | 109.4° |
HD31 | CD3 | HD33 | 109.4° | 109.5° |
HD32 | CD3 | HD33 | 109.5° | 109.5° |
HD41 | CD4 | HD42 | 109.5° | 109.5° |
HD41 | CD4 | HD43 | 109.5° | 109.4° |
HD42 | CD4 | HD43 | 109.5° | 109.5° |
O | C | OXT | 120.5° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | CH | 122.0° | 120.0° |
N | CA | CB | HA | 119.4° | 120.0° |
N | CA | CH | HA | 119.4° | 120.0° |
N | CA | CB | CG | 69.9° | 65.4° |
N | CA | CB | HB2 | 50.1° | 54.7° |
N | CA | CB | HB3 | 170.1° | 174.7° |
N | CA | CH | OH | 75.1° | 60.0° |
N | CA | CH | CM | 46.1° | 60.0° |
N | CA | CH | HH | 164.8° | 179.9° |
H | N | CA | CB | 180.0° | 53.6° |
H | N | CA | CH | 56.9° | 66.3° |
H | N | CA | HA | 61.8° | 173.6° |
H2 | N | CA | CB | 60.0° | 70.3° |
H2 | N | CA | CH | 63.1° | 169.7° |
H2 | N | CA | HA | 178.2° | 49.7° |
CB | CA | CH | HA | 118.1° | 120.0° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 118.6° | 120.0° |
CA | CB | CG | CD1 | 49.8° | 65.8° |
CA | CB | CG | CD2 | 175.5° | 174.2° |
CA | CB | CG | HG | 66.6° | 54.2° |
CB | CA | CH | OH | 47.3° | 60.0° |
CB | CA | CH | CM | 168.5° | NaN° |
CB | CA | CH | HH | 72.8° | 60.1° |
CH | CA | CB | CG | 168.1° | 174.6° |
CH | CA | CB | HB2 | 71.9° | 65.3° |
CH | CA | CB | HB3 | 48.1° | 54.7° |
CA | CH | OH | CM | 122.2° | 120.0° |
CA | CH | OH | HH | 119.0° | 120.1° |
CA | CH | CM | HH | 119.0° | 120.0° |
CA | CH | OH | HO | 180.0° | 60.0° |
CA | CH | CM | N1 | 154.1° | 180.0° |
CA | CH | CM | HM1 | 85.9° | 60.0° |
CA | CH | CM | HM2 | 34.1° | 60.0° |
HA | CA | CB | CG | 49.5° | 54.6° |
HA | CA | CB | HB2 | 169.5° | 174.7° |
HA | CA | CB | HB3 | 70.5° | 65.3° |
HA | CA | CH | OH | 165.5° | 180.0° |
HA | CA | CH | CM | 73.4° | 60.0° |
HA | CA | CH | HH | 45.4° | 59.9° |
CG | CB | HB2 | HB3 | 118.7° | 120.0° |
CB | CG | CD1 | CD2 | 126.5° | 120.0° |
CB | CG | CD1 | HG | 115.4° | 120.0° |
CB | CG | CD2 | HG | 115.6° | 120.0° |
CB | CG | CD1 | CE1 | 174.1° | 180.0° |
CB | CG | CD1 | HD12 | 65.9° | 60.0° |
CB | CG | CD1 | HD13 | 54.0° | 60.0° |
CB | CG | CD2 | CE2 | 174.0° | 180.0° |
CB | CG | CD2 | HD23 | 53.9° | 60.0° |
CB | CG | CD2 | HD22 | 66.0° | 60.0° |
HB2 | CB | CG | CD1 | 169.8° | 174.2° |
HB2 | CB | CG | CD2 | 64.5° | 54.2° |
HB2 | CB | CG | HG | 53.4° | 65.8° |
HB3 | CB | CG | CD1 | 70.2° | 54.2° |
HB3 | CB | CG | CD2 | 55.5° | 65.8° |
HB3 | CB | CG | HG | 173.4° | 174.2° |
CD1 | CG | CD2 | HG | 116.9° | 120.0° |
CG | CD1 | CE1 | HD12 | 120.0° | 120.0° |
CG | CD1 | CE1 | HD13 | 120.0° | 120.0° |
CG | CD1 | HD12 | HD13 | 119.9° | 120.0° |
CD1 | CG | CD2 | CE2 | 58.5° | 60.0° |
CD1 | CG | CD2 | HD23 | 178.6° | 180.0° |
CD1 | CG | CD2 | HD22 | 61.5° | 60.0° |
CG | CD1 | CE1 | CZ | 57.2° | 60.0° |
CG | CD1 | CE1 | HE12 | 177.2° | 180.0° |
CG | CD1 | CE1 | HE13 | 62.8° | 60.1° |
CD2 | CG | CD1 | CE1 | 59.5° | 60.0° |
CD2 | CG | CD1 | HD12 | 60.6° | 60.0° |
CD2 | CG | CD1 | HD13 | 179.5° | 180.0° |
CG | CD2 | CE2 | HD23 | 120.0° | 119.9° |
CG | CD2 | CE2 | HD22 | 120.0° | 120.0° |
CG | CD2 | HD23 | HD22 | 119.4° | 120.0° |
CG | CD2 | CE2 | CZ | 54.6° | 60.0° |
CG | CD2 | CE2 | HE23 | 65.4° | 60.0° |
CG | CD2 | CE2 | HE22 | 174.6° | 180.0° |
HG | CG | CD1 | CE1 | 58.7° | 60.0° |
HG | CG | CD1 | HD12 | 178.7° | 180.0° |
HG | CG | CD1 | HD13 | 61.3° | 60.0° |
HG | CG | CD2 | CE2 | 58.3° | 60.0° |
HG | CG | CD2 | HD23 | 61.7° | 60.0° |
HG | CG | CD2 | HD22 | 178.3° | 180.0° |
CE1 | CD1 | HD12 | HD13 | 120.0° | 120.1° |
CD1 | CE1 | CZ | HE12 | 120.0° | 120.0° |
CD1 | CE1 | CZ | HE13 | 120.0° | 120.1° |
CD1 | CE1 | HE12 | HE13 | 119.2° | 120.0° |
CD1 | CE1 | CZ | CE2 | 53.9° | 60.0° |
CD1 | CE1 | CZ | HZ2 | 66.1° | 60.0° |
CD1 | CE1 | CZ | HZ3 | 173.8° | 180.0° |
HD12 | CD1 | CE1 | CZ | 62.8° | 60.0° |
HD12 | CD1 | CE1 | HE12 | 57.2° | 60.0° |
HD12 | CD1 | CE1 | HE13 | 177.2° | 180.0° |
HD13 | CD1 | CE1 | CZ | 177.2° | 180.0° |
HD13 | CD1 | CE1 | HE12 | 62.8° | 60.0° |
HD13 | CD1 | CE1 | HE13 | 57.2° | 59.9° |
CE2 | CD2 | HD23 | HD22 | 119.4° | 120.1° |
CD2 | CE2 | CZ | CE1 | 52.3° | 60.0° |
CD2 | CE2 | CZ | HE23 | 120.0° | 120.0° |
CD2 | CE2 | CZ | HE22 | 120.0° | 119.9° |
CD2 | CE2 | HE23 | HE22 | 119.1° | 120.0° |
CD2 | CE2 | CZ | HZ2 | 67.7° | 60.0° |
CD2 | CE2 | CZ | HZ3 | 172.3° | 180.0° |
HD23 | CD2 | CE2 | CZ | 174.7° | 180.0° |
HD23 | CD2 | CE2 | HE23 | 54.6° | 60.0° |
HD23 | CD2 | CE2 | HE22 | 65.4° | 60.1° |
HD22 | CD2 | CE2 | CZ | 65.4° | 60.0° |
HD22 | CD2 | CE2 | HE23 | 174.6° | 180.0° |
HD22 | CD2 | CE2 | HE22 | 54.6° | 60.0° |
CZ | CE1 | HE12 | HE13 | 119.2° | 120.0° |
CE1 | CZ | CE2 | HZ2 | 120.0° | 120.0° |
CE1 | CZ | CE2 | HZ3 | 120.0° | 120.0° |
CE1 | CZ | CE2 | HE23 | 67.7° | 60.0° |
CE1 | CZ | CE2 | HE22 | 172.3° | 180.0° |
CE1 | CZ | HZ2 | HZ3 | 119.0° | 120.0° |
HE12 | CE1 | CZ | CE2 | 173.9° | 180.0° |
HE12 | CE1 | CZ | HZ2 | 53.9° | 60.0° |
HE12 | CE1 | CZ | HZ3 | 66.2° | 60.0° |
HE13 | CE1 | CZ | CE2 | 66.1° | 60.1° |
HE13 | CE1 | CZ | HZ2 | 173.9° | 180.0° |
HE13 | CE1 | CZ | HZ3 | 53.8° | 59.9° |
CZ | CE2 | HE23 | HE22 | 119.1° | 120.0° |
CE2 | CZ | HZ2 | HZ3 | 118.9° | 120.0° |
HE23 | CE2 | CZ | HZ2 | 172.3° | 180.0° |
HE23 | CE2 | CZ | HZ3 | 52.3° | 60.0° |
HE22 | CE2 | CZ | HZ2 | 52.3° | 60.0° |
HE22 | CE2 | CZ | HZ3 | 67.7° | 60.0° |
OH | CH | CM | HH | 120.1° | 120.0° |
OH | CH | CM | N1 | 85.0° | 60.0° |
OH | CH | CM | HM1 | 35.1° | 60.0° |
OH | CH | CM | HM2 | 155.0° | 180.0° |
CM | CH | OH | HO | 57.9° | 60.0° |
CH | CM | N1 | HM1 | 120.0° | 120.0° |
CH | CM | N1 | HM2 | 120.0° | 120.0° |
CH | CM | HM1 | HM2 | 120.2° | 120.0° |
CH | CM | N1 | CB2 | 106.9° | 90.0° |
CH | CM | N1 | C | 77.3° | 90.0° |
HH | CH | OH | HO | 60.9° | 179.9° |
HH | CH | CM | N1 | 35.1° | 60.0° |
HH | CH | CM | HM1 | 155.2° | 180.0° |
HH | CH | CM | HM2 | 84.9° | 60.0° |
N1 | CM | HM1 | HM2 | 120.2° | 120.0° |
CM | N1 | CB2 | C | 175.8° | 180.0° |
CM | N1 | CB2 | CG2 | 73.1° | 90.0° |
CM | N1 | CB2 | HB21 | 166.9° | 150.0° |
CM | N1 | CB2 | HB22 | 46.9° | 30.0° |
CM | N1 | C | O | 1.6° | 180.0° |
CM | N1 | C | OXT | 171.3° | 0.0° |
HM1 | CM | N1 | CB2 | 13.1° | 30.0° |
HM1 | CM | N1 | C | 162.7° | 150.0° |
HM2 | CM | N1 | CB2 | 133.1° | 150.0° |
HM2 | CM | N1 | C | 42.7° | 30.0° |
N1 | CB2 | CG2 | HB21 | 120.0° | 120.0° |
N1 | CB2 | CG2 | HB22 | 120.0° | 120.0° |
N1 | CB2 | HB21 | HB22 | 119.1° | 120.0° |
N1 | CB2 | CG2 | CD3 | 82.0° | 65.0° |
N1 | CB2 | CG2 | CD4 | 149.9° | 175.0° |
N1 | CB2 | CG2 | HG2 | 34.3° | 55.0° |
CB2 | N1 | C | O | 174.2° | 0.0° |
CB2 | N1 | C | OXT | 12.9° | 179.9° |
C | N1 | CB2 | CG2 | 102.7° | 90.0° |
C | N1 | CB2 | HB21 | 17.3° | 30.0° |
C | N1 | CB2 | HB22 | 137.3° | 150.0° |
N1 | C | O | OXT | 172.9° | 179.9° |
N1 | C | OXT | HXT | 172.8° | 0.1° |
CG2 | CB2 | HB21 | HB22 | 119.1° | 120.0° |
CB2 | CG2 | CD3 | CD4 | 128.1° | 120.0° |
CB2 | CG2 | CD3 | HG2 | 116.4° | 120.0° |
CB2 | CG2 | CD4 | HG2 | 116.3° | 120.0° |
CB2 | CG2 | CD3 | HD31 | 180.0° | 180.0° |
CB2 | CG2 | CD3 | HD32 | 60.0° | 60.1° |
CB2 | CG2 | CD3 | HD33 | 60.0° | 60.0° |
CB2 | CG2 | CD4 | HD41 | 180.0° | 60.0° |
CB2 | CG2 | CD4 | HD42 | 60.0° | 180.0° |
CB2 | CG2 | CD4 | HD43 | 60.0° | 60.0° |
HB21 | CB2 | CG2 | CD3 | 38.0° | 55.0° |
HB21 | CB2 | CG2 | CD4 | 90.1° | 65.0° |
HB21 | CB2 | CG2 | HG2 | 154.4° | 175.0° |
HB22 | CB2 | CG2 | CD3 | 158.0° | 175.0° |
HB22 | CB2 | CG2 | CD4 | 29.9° | 55.1° |
HB22 | CB2 | CG2 | HG2 | 85.6° | 65.0° |
CD3 | CG2 | CD4 | HG2 | 116.1° | 120.0° |
CG2 | CD3 | HD31 | HD32 | 120.0° | 119.9° |
CG2 | CD3 | HD31 | HD33 | 120.0° | 120.0° |
CG2 | CD3 | HD32 | HD33 | 120.0° | 120.0° |
CD3 | CG2 | CD4 | HD41 | 52.4° | 179.9° |
CD3 | CG2 | CD4 | HD42 | 67.6° | 60.0° |
CD3 | CG2 | CD4 | HD43 | 172.4° | 60.0° |
CD4 | CG2 | CD3 | HD31 | 51.9° | 60.0° |
CD4 | CG2 | CD3 | HD32 | 171.9° | 180.0° |
CD4 | CG2 | CD3 | HD33 | 68.0° | 60.0° |
CG2 | CD4 | HD41 | HD42 | 120.0° | 120.0° |
CG2 | CD4 | HD41 | HD43 | 120.0° | 119.9° |
CG2 | CD4 | HD42 | HD43 | 120.0° | 120.0° |
HG2 | CG2 | CD3 | HD31 | 63.6° | 60.0° |
HG2 | CG2 | CD3 | HD32 | 56.4° | 59.9° |
HG2 | CG2 | CD3 | HD33 | 176.5° | NaN° |
HG2 | CG2 | CD4 | HD41 | 63.7° | 60.1° |
HG2 | CG2 | CD4 | HD42 | 176.3° | 60.0° |
HG2 | CG2 | CD4 | HD43 | 56.3° | 180.0° |
HD31 | CD3 | HD32 | HD33 | 120.0° | 120.0° |
HD41 | CD4 | HD42 | HD43 | 120.0° | 120.0° |
O | C | OXT | HXT | 0.0° | 180.0° |