3WT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.22Å | |
C | C26 | sing | 1.51Å | 1.51Å | |
C26 | C20 | sing | 1.53Å | 1.53Å | |
C20 | O5 | sing | 1.43Å | 1.43Å | |
C20 | CA | sing | 1.53Å | 1.60Å | |
C28 | O5 | sing | 1.43Å | 1.42Å | |
C22 | C21 | sing | 1.53Å | 1.53Å | |
CA | C21 | sing | 1.53Å | 1.60Å | |
CA | N | sing | 1.47Å | 1.57Å | |
C21 | C23 | sing | 1.53Å | 1.53Å | |
C23 | C24 | sing | 1.53Å | 1.52Å | |
N | C25 | sing | 1.47Å | 1.47Å | |
C20 | H23 | sing | 1.09Å | 1.10Å | |
C21 | H24 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C26 | H30 | sing | 1.09Å | 1.10Å | |
C26 | H31 | sing | 1.09Å | 1.10Å | |
C23 | H40 | sing | 1.09Å | 1.10Å | |
C23 | H41 | sing | 1.09Å | 1.10Å | |
C24 | H42 | sing | 1.09Å | 1.10Å | |
C24 | H43 | sing | 1.09Å | 1.10Å | |
C24 | H44 | sing | 1.09Å | 1.10Å | |
C22 | H45 | sing | 1.09Å | 1.10Å | |
C22 | H46 | sing | 1.09Å | 1.10Å | |
C22 | H47 | sing | 1.09Å | 1.10Å | |
C25 | H49 | sing | 1.09Å | 1.10Å | |
C25 | H50 | sing | 1.09Å | 1.10Å | |
C25 | H51 | sing | 1.09Å | 1.10Å | |
C28 | H52 | sing | 1.09Å | 1.10Å | |
C28 | H53 | sing | 1.09Å | 1.10Å | |
C28 | H54 | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
C | OXT | sing | 1.34Å | 133.66Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | C26 | 120.6° | 120.0° |
O | C | OXT | 62.2° | 120.0° |
C | C26 | C20 | 114.0° | 109.5° |
C | C26 | H30 | 108.3° | 109.5° |
C | C26 | H31 | 108.3° | 109.4° |
C26 | C | OXT | 131.7° | 120.1° |
C26 | C20 | O5 | 109.0° | 109.5° |
C26 | C20 | CA | 121.1° | 109.5° |
C26 | C20 | H23 | 104.7° | 109.5° |
C20 | C26 | H30 | 108.3° | 109.5° |
C20 | C26 | H31 | 108.3° | 109.5° |
O5 | C20 | CA | 110.9° | 109.5° |
C20 | O5 | C28 | 114.6° | 114.0° |
O5 | C20 | H23 | 105.8° | 109.4° |
C20 | CA | C21 | 129.4° | 109.5° |
C20 | CA | N | 109.6° | 109.4° |
CA | C20 | H23 | 104.1° | 109.5° |
C20 | CA | HA | 98.9° | 109.5° |
O5 | C28 | H52 | 109.5° | 109.5° |
O5 | C28 | H53 | 109.5° | 109.4° |
O5 | C28 | H54 | 109.5° | 109.5° |
C22 | C21 | CA | 123.8° | 109.4° |
C22 | C21 | C23 | 112.1° | 109.5° |
C22 | C21 | H24 | 101.5° | 109.5° |
C21 | C22 | H45 | 109.5° | 109.5° |
C21 | C22 | H46 | 109.5° | 109.5° |
C21 | C22 | H47 | 109.5° | 109.5° |
C21 | CA | N | 113.9° | 109.5° |
CA | C21 | C23 | 112.8° | 109.4° |
CA | C21 | H24 | 100.9° | 109.5° |
C21 | CA | HA | 98.9° | 109.5° |
CA | N | C25 | 109.9° | 111.0° |
N | CA | HA | 99.0° | 109.4° |
CA | N | H | 109.3° | 111.0° |
C21 | C23 | C24 | 114.0° | 109.4° |
C23 | C21 | H24 | 101.5° | 109.5° |
C21 | C23 | H40 | 108.3° | 109.5° |
C21 | C23 | H41 | 108.3° | 109.5° |
C24 | C23 | H40 | 108.3° | 109.5° |
C24 | C23 | H41 | 108.3° | 109.4° |
C23 | C24 | H42 | 109.5° | 109.5° |
C23 | C24 | H43 | 109.5° | 109.4° |
C23 | C24 | H44 | 109.5° | 109.4° |
N | C25 | H49 | 109.5° | 109.5° |
N | C25 | H50 | 109.5° | 109.5° |
N | C25 | H51 | 109.5° | 109.5° |
C25 | N | H | 109.4° | 111.0° |
H30 | C26 | H31 | 109.5° | 109.4° |
H40 | C23 | H41 | 109.5° | 109.6° |
H42 | C24 | H43 | 109.5° | 109.5° |
H42 | C24 | H44 | 109.5° | 109.5° |
H43 | C24 | H44 | 109.5° | 109.5° |
H45 | C22 | H46 | 109.5° | 109.5° |
H45 | C22 | H47 | 109.5° | 109.5° |
H46 | C22 | H47 | 109.5° | 109.4° |
H49 | C25 | H50 | 109.5° | 109.5° |
H49 | C25 | H51 | 109.5° | 109.5° |
H50 | C25 | H51 | 109.5° | 109.4° |
H52 | C28 | H53 | 109.4° | 109.5° |
H52 | C28 | H54 | 109.5° | 109.5° |
H53 | C28 | H54 | 109.5° | 109.4° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | C26 | OXT | 78.5° | 179.9° |
O | C | C26 | C20 | 30.4° | 6.8° |
O | C | C26 | H30 | 151.1° | 113.3° |
O | C | C26 | H31 | 90.2° | 126.8° |
O | C | OXT | HXT | 90.0° | 0.1° |
C | C26 | C20 | H30 | 120.6° | 120.1° |
C | C26 | C20 | H31 | 120.7° | 120.0° |
C | C26 | C20 | O5 | 81.8° | 57.2° |
C | C26 | C20 | CA | 147.8° | 62.8° |
C | C26 | C20 | H23 | 30.9° | 177.1° |
C | C26 | H30 | H31 | 117.9° | 119.9° |
C26 | C | OXT | HXT | 90.0° | 180.0° |
C26 | C20 | O5 | CA | 135.7° | 120.0° |
C26 | C20 | O5 | H23 | 112.1° | 120.0° |
C26 | C20 | CA | H23 | 117.2° | 120.0° |
C26 | C20 | O5 | C28 | 112.6° | 91.8° |
C26 | C20 | CA | C21 | 6.6° | 176.1° |
C26 | C20 | CA | N | 141.2° | 56.1° |
C26 | C20 | CA | HA | 115.8° | 63.8° |
C20 | C26 | H30 | H31 | 118.0° | 120.0° |
C20 | C26 | C | OXT | 109.0° | 173.3° |
O5 | C20 | CA | H23 | 113.3° | 119.9° |
O5 | C20 | CA | C21 | 136.1° | 63.9° |
O5 | C20 | CA | N | 11.7° | 176.1° |
O5 | C20 | CA | HA | 114.7° | 56.2° |
O5 | C20 | C26 | H30 | 38.8° | 62.9° |
O5 | C20 | C26 | H31 | 157.5° | 177.2° |
C20 | O5 | C28 | H52 | 180.0° | 55.0° |
C20 | O5 | C28 | H53 | 60.0° | 65.0° |
C20 | O5 | C28 | H54 | 60.0° | 175.0° |
CA | C20 | O5 | C28 | 111.7° | 148.2° |
C20 | CA | C21 | C22 | 23.4° | 65.6° |
C20 | CA | C21 | N | 146.7° | 120.0° |
C20 | CA | C21 | HA | 109.2° | 120.0° |
C20 | CA | N | HA | 102.8° | 119.9° |
C20 | CA | C21 | C23 | 117.2° | 174.5° |
C20 | CA | N | C25 | 96.2° | 60.1° |
C20 | CA | C21 | H24 | 135.3° | 54.4° |
CA | C20 | C26 | H30 | 91.5° | 177.1° |
CA | C20 | C26 | H31 | 27.1° | 57.1° |
C20 | CA | N | H | 23.9° | 176.0° |
C28 | O5 | C20 | H23 | 0.6° | 28.2° |
O5 | C28 | H52 | H53 | 120.0° | 120.0° |
O5 | C28 | H52 | H54 | 120.0° | 120.1° |
O5 | C28 | H53 | H54 | 120.0° | 120.0° |
C22 | C21 | CA | C23 | 140.6° | 120.0° |
C22 | C21 | CA | H24 | 111.9° | 120.0° |
C22 | C21 | CA | N | 123.4° | 174.4° |
C22 | C21 | C23 | H24 | 107.6° | 120.1° |
C22 | C21 | C23 | C24 | 132.5° | 65.1° |
C22 | C21 | CA | HA | 132.6° | 54.5° |
C22 | C21 | C23 | H40 | 11.8° | 54.9° |
C22 | C21 | C23 | H41 | 106.9° | 175.1° |
C21 | C22 | H45 | H46 | 120.0° | 120.0° |
C21 | C22 | H45 | H47 | 120.0° | 120.0° |
C21 | C22 | H46 | H47 | 120.0° | 119.9° |
C21 | CA | N | HA | 103.9° | 120.0° |
CA | C21 | C23 | H24 | 107.2° | 120.0° |
CA | C21 | C23 | C24 | 82.3° | 175.0° |
C21 | CA | N | C25 | 110.6° | 60.0° |
C21 | CA | C20 | H23 | 110.6° | 56.0° |
CA | C21 | C23 | H40 | 157.1° | 65.0° |
CA | C21 | C23 | H41 | 38.4° | 55.1° |
CA | C21 | C22 | H45 | 180.0° | 66.0° |
CA | C21 | C22 | H46 | 60.0° | 54.0° |
CA | C21 | C22 | H47 | 60.0° | 174.0° |
C21 | CA | N | H | 129.3° | 64.0° |
N | CA | C21 | C23 | 96.1° | 54.5° |
CA | N | C25 | H | 120.1° | 123.9° |
N | CA | C20 | H23 | 101.6° | 64.0° |
N | CA | C21 | H24 | 11.5° | 65.5° |
CA | N | C25 | H49 | 180.0° | 180.0° |
CA | N | C25 | H50 | 60.0° | 60.0° |
CA | N | C25 | H51 | 60.0° | 60.0° |
C21 | C23 | C24 | H40 | 120.7° | 120.0° |
C21 | C23 | C24 | H41 | 120.7° | 119.9° |
C23 | C21 | CA | HA | 8.0° | 65.5° |
C21 | C23 | H40 | H41 | 118.0° | 120.0° |
C21 | C23 | C24 | H42 | 180.0° | 59.9° |
C21 | C23 | C24 | H43 | 60.0° | 60.1° |
C21 | C23 | C24 | H44 | 60.0° | 180.0° |
C23 | C21 | C22 | H45 | 39.2° | 174.0° |
C23 | C21 | C22 | H46 | 159.2° | 65.9° |
C23 | C21 | C22 | H47 | 80.8° | 54.0° |
C24 | C23 | C21 | H24 | 24.9° | 55.0° |
C24 | C23 | H40 | H41 | 117.9° | 120.0° |
C23 | C24 | H42 | H43 | 120.0° | 120.0° |
C23 | C24 | H42 | H44 | 120.0° | 120.0° |
C23 | C24 | H43 | H44 | 120.0° | 119.9° |
C25 | N | CA | HA | 6.7° | 180.0° |
N | C25 | H49 | H50 | 120.0° | 120.0° |
N | C25 | H49 | H51 | 120.0° | 120.1° |
N | C25 | H50 | H51 | 120.0° | 120.0° |
H23 | C20 | CA | HA | 1.4° | 176.1° |
H23 | C20 | C26 | H30 | 151.6° | 57.1° |
H23 | C20 | C26 | H31 | 89.8° | 62.9° |
H24 | C21 | CA | HA | 115.5° | 174.5° |
H24 | C21 | C23 | H40 | 95.7° | 175.0° |
H24 | C21 | C23 | H41 | 145.6° | 64.9° |
H24 | C21 | C22 | H45 | 68.4° | 53.9° |
H24 | C21 | C22 | H46 | 51.6° | 174.0° |
H24 | C21 | C22 | H47 | 171.6° | 66.1° |
HA | CA | N | H | 126.7° | 56.1° |
H30 | C26 | C | OXT | 130.4° | 66.6° |
H31 | C26 | C | OXT | 11.7° | 53.2° |
H40 | C23 | C24 | H42 | 59.4° | 179.9° |
H40 | C23 | C24 | H43 | 179.3° | 59.9° |
H40 | C23 | C24 | H44 | 60.7° | 60.0° |
H41 | C23 | C24 | H42 | 59.3° | 60.0° |
H41 | C23 | C24 | H43 | 60.7° | 180.0° |
H41 | C23 | C24 | H44 | 179.3° | 60.1° |
H42 | C24 | H43 | H44 | 120.0° | 120.1° |
H45 | C22 | H46 | H47 | 120.0° | 120.0° |
H49 | C25 | H50 | H51 | 120.0° | 120.0° |
H49 | C25 | N | H | 59.9° | 56.1° |
H50 | C25 | N | H | 179.9° | 176.1° |
H51 | C25 | N | H | 60.1° | 64.0° |
H52 | C28 | H53 | H54 | 120.0° | 120.0° |