CHS
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 | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | CH | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.12Å | |
| CD1 | CE1 | sing | 1.53Å | 1.53Å | |
| CD1 | HD12 | sing | 1.09Å | 1.11Å | |
| CD1 | HD13 | sing | 1.09Å | 1.11Å | |
| CD2 | CE2 | sing | 1.53Å | 1.53Å | |
| CD2 | HD23 | sing | 1.09Å | 1.12Å | |
| CD2 | HD22 | sing | 1.09Å | 1.11Å | |
| CE1 | CZ | sing | 1.53Å | 1.53Å | |
| CE1 | HE12 | sing | 1.09Å | 1.11Å | |
| CE1 | HE13 | sing | 1.09Å | 1.11Å | |
| CE2 | CZ | sing | 1.53Å | 1.53Å | |
| CE2 | HE23 | sing | 1.09Å | 1.12Å | |
| CE2 | HE22 | sing | 1.09Å | 1.12Å | |
| CZ | HZ2 | sing | 1.09Å | 1.11Å | |
| CZ | HZ3 | sing | 1.09Å | 1.11Å | |
| CH | OH | sing | 1.43Å | 1.43Å | |
| CH | CM | sing | 1.53Å | 1.52Å | |
| CH | HH | sing | 1.09Å | 1.11Å | |
| OH | HO | sing | 0.97Å | 0.95Å | |
| CM | C | sing | 1.51Å | 1.51Å | |
| CM | HM1 | sing | 1.09Å | 1.11Å | |
| CM | HM2 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.0° | 106.7° |
| CA | N | H2 | 112.1° | 106.7° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | CH | 109.3° | 109.4° |
| N | CA | HA | 109.7° | 109.4° |
| H | N | H2 | 112.0° | 106.7° |
| CB | CA | CH | 110.9° | 109.5° |
| CB | CA | HA | 108.2° | 109.6° |
| CA | CB | CG | 114.1° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.5° |
| CA | CB | HB3 | 110.6° | 109.4° |
| CH | CA | HA | 108.8° | 109.5° |
| CA | CH | OH | 108.6° | 109.5° |
| CA | CH | CM | 112.1° | 109.5° |
| CA | CH | HH | 108.3° | 109.5° |
| CG | CB | HB2 | 110.5° | 109.5° |
| CG | CB | HB3 | 110.5° | 109.5° |
| CB | CG | CD1 | 111.4° | 109.5° |
| CB | CG | CD2 | 110.1° | 109.5° |
| CB | CG | HG | 108.5° | 109.5° |
| HB2 | CB | HB3 | 99.7° | 109.5° |
| CD1 | CG | CD2 | 111.4° | 109.5° |
| CD1 | CG | HG | 107.1° | 109.4° |
| CG | CD1 | CE1 | 113.0° | 109.5° |
| CG | CD1 | HD12 | 110.9° | 109.5° |
| CG | CD1 | HD13 | 110.9° | 109.4° |
| CD2 | CG | HG | 108.4° | 109.5° |
| CG | CD2 | CE2 | 112.5° | 109.5° |
| CG | CD2 | HD23 | 111.1° | 109.5° |
| CG | CD2 | HD22 | 111.2° | 109.4° |
| CE1 | CD1 | HD12 | 110.9° | 109.5° |
| CE1 | CD1 | HD13 | 110.9° | 109.4° |
| CD1 | CE1 | CZ | 112.1° | 109.5° |
| CD1 | CE1 | HE12 | 111.3° | 109.4° |
| CD1 | CE1 | HE13 | 111.2° | 109.5° |
| HD12 | CD1 | HD13 | 99.5° | 109.5° |
| CE2 | CD2 | HD23 | 111.1° | 109.5° |
| CE2 | CD2 | HD22 | 111.1° | 109.5° |
| CD2 | CE2 | CZ | 111.8° | 109.4° |
| CD2 | CE2 | HE23 | 111.3° | 109.4° |
| CD2 | CE2 | HE22 | 111.4° | 109.5° |
| HD23 | CD2 | HD22 | 99.2° | 109.5° |
| CZ | CE1 | HE12 | 111.2° | 109.5° |
| CZ | CE1 | HE13 | 111.3° | 109.5° |
| CE1 | CZ | CE2 | 111.2° | 109.5° |
| CE1 | CZ | HZ2 | 111.6° | 109.4° |
| CE1 | CZ | HZ3 | 111.6° | 109.5° |
| HE12 | CE1 | HE13 | 99.1° | 109.5° |
| CZ | CE2 | HE23 | 111.3° | 109.5° |
| CZ | CE2 | HE22 | 111.3° | 109.5° |
| CE2 | CZ | HZ2 | 111.6° | 109.5° |
| CE2 | CZ | HZ3 | 111.5° | 109.5° |
| HE23 | CE2 | HE22 | 99.0° | 109.5° |
| HZ2 | CZ | HZ3 | 98.8° | 109.4° |
| OH | CH | CM | 109.7° | 109.5° |
| OH | CH | HH | 110.8° | 109.5° |
| CH | OH | HO | 108.7° | 106.8° |
| CM | CH | HH | 107.3° | 109.4° |
| CH | CM | C | 114.0° | 109.5° |
| CH | CM | HM1 | 110.5° | 109.4° |
| CH | CM | HM2 | 110.5° | 109.5° |
| C | CM | HM1 | 110.6° | 109.5° |
| C | CM | HM2 | 110.6° | 109.5° |
| CM | C | O | 120.2° | 120.0° |
| CM | C | OXT | 118.6° | 120.0° |
| HM1 | CM | HM2 | 99.7° | 109.4° |
| O | C | OXT | 121.2° | 120.0° |
| C | OXT | HXT | 118.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.4° | 113.8° |
| N | CA | CB | CH | 121.0° | 119.9° |
| N | CA | CB | HA | 119.8° | 120.0° |
| N | CA | CH | HA | 119.8° | 119.9° |
| N | CA | CB | CG | 50.3° | 60.1° |
| N | CA | CB | HB2 | 74.9° | 60.0° |
| N | CA | CB | HB3 | 175.6° | 180.0° |
| N | CA | CH | OH | 50.2° | 60.0° |
| N | CA | CH | CM | 71.2° | 60.0° |
| N | CA | CH | HH | 170.6° | 180.0° |
| H | N | CA | CB | 180.0° | 53.8° |
| H | N | CA | CH | 58.1° | 173.8° |
| H | N | CA | HA | 61.2° | 66.2° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | CH | 176.6° | 60.0° |
| H2 | N | CA | HA | 64.1° | 180.0° |
| CB | CA | CH | HA | 118.8° | 120.1° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | CG | HB3 | 125.3° | 119.9° |
| CA | CB | HB2 | HB3 | 116.4° | 119.9° |
| CA | CB | CG | CD1 | 60.6° | 180.0° |
| CA | CB | CG | CD2 | 175.3° | 60.0° |
| CA | CB | CG | HG | 57.0° | 60.1° |
| CB | CA | CH | OH | 71.1° | 59.9° |
| CB | CA | CH | CM | 167.4° | 180.0° |
| CB | CA | CH | HH | 49.3° | 60.1° |
| CH | CA | CB | CG | 171.3° | 180.0° |
| CH | CA | CB | HB2 | 46.1° | 59.9° |
| CH | CA | CB | HB3 | 63.4° | 60.0° |
| CA | CH | OH | CM | 122.9° | 120.1° |
| CA | CH | OH | HH | 118.9° | 120.0° |
| CA | CH | CM | HH | 118.8° | 120.0° |
| CA | CH | OH | HO | 180.0° | 60.1° |
| CA | CH | CM | C | 69.5° | 180.0° |
| CA | CH | CM | HM1 | 165.2° | 60.0° |
| CA | CH | CM | HM2 | 55.8° | 59.9° |
| HA | CA | CB | CG | 69.4° | 59.9° |
| HA | CA | CB | HB2 | 165.3° | 180.0° |
| HA | CA | CB | HB3 | 55.8° | 60.1° |
| HA | CA | CH | OH | 170.0° | 179.9° |
| HA | CA | CH | CM | 48.6° | 59.9° |
| HA | CA | CH | HH | 69.6° | 60.1° |
| CG | CB | HB2 | HB3 | 116.3° | 120.0° |
| CB | CG | CD1 | CD2 | 123.3° | 120.1° |
| CB | CG | CD1 | HG | 118.4° | 119.9° |
| CB | CG | CD2 | HG | 118.5° | 120.0° |
| CB | CG | CD1 | CE1 | 174.9° | 180.0° |
| CB | CG | CD1 | HD12 | 49.7° | 59.9° |
| CB | CG | CD1 | HD13 | 59.9° | 60.1° |
| CB | CG | CD2 | CE2 | 176.2° | 180.0° |
| CB | CG | CD2 | HD23 | 58.6° | 60.0° |
| CB | CG | CD2 | HD22 | 50.9° | 60.0° |
| HB2 | CB | CG | CD1 | 174.1° | 59.9° |
| HB2 | CB | CG | CD2 | 50.1° | 180.0° |
| HB2 | CB | CG | HG | 68.3° | 60.0° |
| HB3 | CB | CG | CD1 | 64.7° | 60.1° |
| HB3 | CB | CG | CD2 | 59.3° | 60.0° |
| HB3 | CB | CG | HG | 177.7° | 180.0° |
| CD1 | CG | CD2 | HG | 117.5° | 119.9° |
| CG | CD1 | CE1 | HD12 | 125.2° | 120.1° |
| CG | CD1 | CE1 | HD13 | 125.2° | 120.0° |
| CG | CD1 | HD12 | HD13 | 116.8° | 120.0° |
| CD1 | CG | CD2 | CE2 | 52.1° | 60.0° |
| CD1 | CG | CD2 | HD23 | 177.4° | 60.1° |
| CD1 | CG | CD2 | HD22 | 73.1° | 180.0° |
| CG | CD1 | CE1 | CZ | 53.0° | 60.0° |
| CG | CD1 | CE1 | HE12 | 178.3° | 60.1° |
| CG | CD1 | CE1 | HE13 | 72.2° | 180.0° |
| CD2 | CG | CD1 | CE1 | 51.6° | 59.9° |
| CD2 | CG | CD1 | HD12 | 73.6° | 180.0° |
| CD2 | CG | CD1 | HD13 | 176.8° | 60.0° |
| CG | CD2 | CE2 | HD23 | 125.3° | 120.0° |
| CG | CD2 | CE2 | HD22 | 125.3° | 120.0° |
| CG | CD2 | HD23 | HD22 | 117.1° | 120.0° |
| CG | CD2 | CE2 | CZ | 54.2° | 60.0° |
| CG | CD2 | CE2 | HE23 | 71.1° | 60.0° |
| CG | CD2 | CE2 | HE22 | 179.4° | 180.0° |
| HG | CG | CD1 | CE1 | 66.7° | 60.0° |
| HG | CG | CD1 | HD12 | 168.1° | 60.0° |
| HG | CG | CD1 | HD13 | 58.5° | 180.0° |
| HG | CG | CD2 | CE2 | 65.4° | 60.0° |
| HG | CG | CD2 | HD23 | 59.9° | 180.0° |
| HG | CG | CD2 | HD22 | 169.4° | 60.0° |
| CE1 | CD1 | HD12 | HD13 | 116.8° | 120.0° |
| CD1 | CE1 | CZ | HE12 | 125.3° | 120.0° |
| CD1 | CE1 | CZ | HE13 | 125.2° | 120.0° |
| CD1 | CE1 | HE12 | HE13 | 117.1° | 120.0° |
| CD1 | CE1 | CZ | CE2 | 53.9° | 60.0° |
| CD1 | CE1 | CZ | HZ2 | 71.4° | 180.0° |
| CD1 | CE1 | CZ | HZ3 | 179.1° | 60.0° |
| HD12 | CD1 | CE1 | CZ | 72.2° | 180.0° |
| HD12 | CD1 | CE1 | HE12 | 53.1° | 60.0° |
| HD12 | CD1 | CE1 | HE13 | 162.6° | 60.0° |
| HD13 | CD1 | CE1 | CZ | 178.3° | 60.0° |
| HD13 | CD1 | CE1 | HE12 | 56.5° | 180.0° |
| HD13 | CD1 | CE1 | HE13 | 53.0° | 60.0° |
| CE2 | CD2 | HD23 | HD22 | 116.9° | 120.0° |
| CD2 | CE2 | CZ | CE1 | 54.6° | 60.0° |
| CD2 | CE2 | CZ | HE23 | 125.3° | 120.0° |
| CD2 | CE2 | CZ | HE22 | 125.3° | 120.0° |
| CD2 | CE2 | HE23 | HE22 | 117.2° | 120.0° |
| CD2 | CE2 | CZ | HZ2 | 70.7° | 180.0° |
| CD2 | CE2 | CZ | HZ3 | 179.8° | 60.0° |
| HD23 | CD2 | CE2 | CZ | 179.4° | 60.0° |
| HD23 | CD2 | CE2 | HE23 | 54.2° | 180.0° |
| HD23 | CD2 | CE2 | HE22 | 55.3° | 60.0° |
| HD22 | CD2 | CE2 | CZ | 71.1° | 180.0° |
| HD22 | CD2 | CE2 | HE23 | 163.6° | 60.0° |
| HD22 | CD2 | CE2 | HE22 | 54.2° | 60.0° |
| CZ | CE1 | HE12 | HE13 | 117.1° | 120.0° |
| CE1 | CZ | CE2 | HZ2 | 125.3° | 120.0° |
| CE1 | CZ | CE2 | HZ3 | 125.3° | 120.1° |
| CE1 | CZ | CE2 | HE23 | 70.7° | 59.9° |
| CE1 | CZ | CE2 | HE22 | 179.8° | 180.0° |
| CE1 | CZ | HZ2 | HZ3 | 117.5° | 120.0° |
| HE12 | CE1 | CZ | CE2 | 179.2° | 59.9° |
| HE12 | CE1 | CZ | HZ2 | 53.9° | 60.0° |
| HE12 | CE1 | CZ | HZ3 | 55.6° | 180.0° |
| HE13 | CE1 | CZ | CE2 | 71.4° | 180.0° |
| HE13 | CE1 | CZ | HZ2 | 163.4° | 60.0° |
| HE13 | CE1 | CZ | HZ3 | 53.9° | 60.0° |
| CZ | CE2 | HE23 | HE22 | 117.2° | 120.1° |
| CE2 | CZ | HZ2 | HZ3 | 117.4° | 120.0° |
| HE23 | CE2 | CZ | HZ2 | 164.0° | 60.0° |
| HE23 | CE2 | CZ | HZ3 | 54.6° | 180.0° |
| HE22 | CE2 | CZ | HZ2 | 54.5° | 60.0° |
| HE22 | CE2 | CZ | HZ3 | 54.9° | 60.0° |
| OH | CH | CM | HH | 120.4° | 120.0° |
| OH | CH | CM | C | 169.7° | 59.9° |
| OH | CH | CM | HM1 | 44.4° | 60.0° |
| OH | CH | CM | HM2 | 65.0° | 179.9° |
| CM | CH | OH | HO | 57.1° | 60.0° |
| CH | CM | C | HM1 | 125.3° | 119.9° |
| CH | CM | C | HM2 | 125.2° | 120.1° |
| CH | CM | HM1 | HM2 | 116.4° | 120.0° |
| CH | CM | C | O | 90.7° | 0.1° |
| CH | CM | C | OXT | 92.7° | 180.0° |
| HH | CH | OH | HO | 61.1° | 179.9° |
| HH | CH | CM | C | 49.3° | 60.0° |
| HH | CH | CM | HM1 | 76.0° | NaN° |
| HH | CH | CM | HM2 | 174.6° | 60.1° |
| C | CM | HM1 | HM2 | 116.4° | 120.0° |
| CM | C | O | OXT | 176.6° | 180.0° |
| CM | C | OXT | HXT | 180.0° | 180.0° |
| HM1 | CM | C | O | 144.1° | 120.0° |
| HM1 | CM | C | OXT | 32.6° | 60.0° |
| HM2 | CM | C | O | 34.6° | 120.0° |
| HM2 | CM | C | OXT | 142.1° | 59.9° |
| O | C | OXT | HXT | 3.4° | 0.0° |
