WT2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OA1 | C | sing | 1.34Å | 1.25Å | |
C | OA2 | doub | 1.21Å | 1.24Å | |
C | CA | sing | 1.51Å | 1.52Å | |
CA | N | sing | 1.47Å | 1.44Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CB | CG | sing | 1.53Å | 1.54Å | |
CG | CD | sing | 1.53Å | 1.54Å | |
CD | NE | sing | 1.46Å | 1.46Å | |
NE | CZ | sing | 1.38Å | 1.33Å | |
CZ | NH | doub | 1.30Å | 1.35Å | |
CZ | CH | sing | 1.48Å | 1.47Å | |
CH | OH | doub | 1.21Å | 1.21Å | |
OA1 | HA1 | sing | 0.97Å | 0.95Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | HN1 | sing | 1.01Å | 1.00Å | |
N | HN2 | sing | 1.01Å | 1.00Å | |
CB | HB1C | sing | 1.09Å | 1.10Å | |
CB | HB2C | sing | 1.09Å | 1.10Å | |
CG | HG1C | sing | 1.09Å | 1.10Å | |
CG | HG2C | sing | 1.09Å | 1.10Å | |
CD | HD1C | sing | 1.09Å | 1.10Å | |
CD | HD2C | sing | 1.09Å | 1.10Å | |
NH | HH1N | sing | 0.97Å | 1.00Å | |
CH | HH | sing | 1.08Å | 1.08Å | |
NE | HNE | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OA1 | C | OA2 | 117.9° | 120.0° |
OA1 | C | CA | 122.6° | 120.0° |
C | OA1 | HA1 | 109.5° | 117.0° |
OA2 | C | CA | 119.4° | 120.0° |
C | CA | N | 106.3° | 109.5° |
C | CA | CB | 114.2° | 109.5° |
C | CA | HA | 108.8° | 109.5° |
N | CA | CB | 109.2° | 109.5° |
N | CA | HA | 109.8° | 109.4° |
CA | N | HN1 | 109.5° | 111.0° |
CA | N | HN2 | 109.5° | 111.0° |
CA | CB | CG | 112.8° | 109.5° |
CB | CA | HA | 108.4° | 109.5° |
CA | CB | HB1C | 108.6° | 109.5° |
CA | CB | HB2C | 108.6° | 109.4° |
CB | CG | CD | 112.4° | 109.5° |
CG | CB | HB1C | 108.6° | 109.4° |
CG | CB | HB2C | 108.6° | 109.5° |
CB | CG | HG1C | 108.7° | 109.4° |
CB | CG | HG2C | 108.7° | 109.5° |
CG | CD | NE | 111.3° | 109.5° |
CD | CG | HG1C | 108.7° | 109.5° |
CD | CG | HG2C | 108.7° | 109.5° |
CG | CD | HD1C | 109.0° | 109.4° |
CG | CD | HD2C | 109.0° | 109.5° |
CD | NE | CZ | 125.5° | 120.0° |
NE | CD | HD1C | 109.0° | 109.5° |
NE | CD | HD2C | 109.0° | 109.5° |
CD | NE | HNE | 117.2° | 120.0° |
NE | CZ | NH | 121.9° | 120.0° |
NE | CZ | CH | 116.4° | 120.0° |
CZ | NE | HNE | 117.3° | 120.0° |
NH | CZ | CH | 121.6° | 120.0° |
CZ | NH | HH1N | 112.0° | 120.0° |
CZ | CH | OH | 113.1° | 120.0° |
CZ | CH | HH | 123.5° | 120.0° |
OH | CH | HH | 123.5° | 120.0° |
HN1 | N | HN2 | 109.5° | 111.0° |
HB1C | CB | HB2C | 109.5° | 109.5° |
HG1C | CG | HG2C | 109.4° | 109.5° |
HD1C | CD | HD2C | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OA1 | C | OA2 | CA | 179.3° | 180.0° |
OA1 | C | CA | N | 172.2° | 160.0° |
OA1 | C | CA | CB | 67.2° | 80.0° |
OA1 | C | CA | HA | 54.0° | 40.0° |
OA2 | C | CA | N | 7.1° | 20.0° |
OA2 | C | CA | CB | 113.5° | 100.0° |
OA2 | C | OA1 | HA1 | 0.0° | 0.0° |
OA2 | C | CA | HA | 125.3° | 140.0° |
C | CA | N | CB | 123.7° | 120.0° |
C | CA | N | HA | 117.5° | 120.0° |
C | CA | CB | HA | 121.4° | 120.0° |
C | CA | CB | CG | 164.8° | 175.0° |
CA | C | OA1 | HA1 | 179.3° | 180.0° |
C | CA | N | HN1 | 180.0° | 64.0° |
C | CA | N | HN2 | 60.0° | 60.0° |
C | CA | CB | HB1C | 74.7° | 55.0° |
C | CA | CB | HB2C | 44.3° | 65.0° |
N | CA | CB | HA | 119.6° | 120.0° |
N | CA | CB | CG | 76.2° | 65.0° |
CA | N | HN1 | HN2 | 120.0° | 124.0° |
N | CA | CB | HB1C | 44.3° | 175.0° |
N | CA | CB | HB2C | 163.3° | 55.0° |
CA | CB | CG | HB1C | 120.5° | 120.0° |
CA | CB | CG | HB2C | 120.5° | 120.0° |
CA | CB | CG | CD | 167.1° | 180.0° |
CB | CA | N | HN1 | 56.3° | 176.0° |
CB | CA | N | HN2 | 176.3° | 60.0° |
CA | CB | HB1C | HB2C | 118.5° | 120.0° |
CA | CB | CG | HG1C | 72.5° | 60.0° |
CA | CB | CG | HG2C | 46.6° | 60.0° |
CB | CG | CD | HG1C | 120.5° | 120.0° |
CB | CG | CD | HG2C | 120.4° | 120.0° |
CB | CG | CD | NE | 46.0° | 180.0° |
CG | CB | CA | HA | 43.4° | 55.0° |
CG | CB | HB1C | HB2C | 118.5° | 120.0° |
CB | CG | HG1C | HG2C | 118.6° | 120.0° |
CB | CG | CD | HD1C | 74.2° | 60.0° |
CB | CG | CD | HD2C | 166.3° | 59.9° |
CG | CD | NE | HD1C | 120.2° | 119.9° |
CG | CD | NE | HD2C | 120.3° | 120.1° |
CG | CD | NE | CZ | 178.9° | 180.0° |
CD | CG | CB | HB1C | 46.6° | 60.0° |
CD | CG | CB | HB2C | 72.4° | 60.0° |
CD | CG | HG1C | HG2C | 118.6° | 120.0° |
CG | CD | HD1C | HD2C | 119.1° | 120.0° |
CG | CD | NE | HNE | 1.1° | 0.0° |
CD | NE | CZ | HNE | 180.0° | 180.0° |
CD | NE | CZ | NH | 170.4° | 0.0° |
CD | NE | CZ | CH | 5.7° | 180.0° |
NE | CD | CG | HG1C | 166.5° | 60.0° |
NE | CD | CG | HG2C | 74.4° | 60.0° |
NE | CD | HD1C | HD2C | 119.2° | 120.0° |
NE | CZ | NH | CH | 175.9° | 180.0° |
NE | CZ | CH | OH | 109.8° | 180.0° |
CZ | NE | CD | HD1C | 58.7° | 60.0° |
CZ | NE | CD | HD2C | 60.8° | 60.0° |
NE | CZ | NH | HH1N | 175.9° | 180.0° |
NE | CZ | CH | HH | 70.2° | 0.3° |
NH | CZ | CH | OH | 66.3° | 0.0° |
NH | CZ | CH | HH | 113.7° | 179.7° |
NH | CZ | NE | HNE | 9.5° | 180.0° |
CZ | CH | OH | HH | 180.0° | 179.7° |
CH | CZ | NH | HH1N | 0.0° | 0.0° |
CH | CZ | NE | HNE | 174.4° | 0.0° |
HA | CA | N | HN1 | 62.5° | 56.0° |
HA | CA | N | HN2 | 57.5° | 180.0° |
HA | CA | CB | HB1C | 163.9° | 65.0° |
HA | CA | CB | HB2C | 77.1° | 175.0° |
HB1C | CB | CG | HG1C | 167.0° | 180.0° |
HB1C | CB | CG | HG2C | 73.9° | 60.0° |
HB2C | CB | CG | HG1C | 48.1° | 60.0° |
HB2C | CB | CG | HG2C | 167.1° | 180.0° |
HG1C | CG | CD | HD1C | 46.2° | 180.0° |
HG1C | CG | CD | HD2C | 73.2° | 60.0° |
HG2C | CG | CD | HD1C | 165.3° | 60.0° |
HG2C | CG | CD | HD2C | 45.9° | 179.9° |
HD1C | CD | NE | HNE | 121.3° | 120.0° |
HD2C | CD | NE | HNE | 119.2° | 120.0° |