0XQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.22Å | |
C | CA | sing | 1.51Å | 1.54Å | |
N | CA | sing | 1.47Å | 1.46Å | |
CA | CBA | sing | 1.53Å | 1.51Å | |
CA | CAZ | sing | 1.53Å | 1.52Å | |
CAZ | C05 | sing | 1.53Å | 1.54Å | |
N02 | C02 | sing | 1.47Å | 1.48Å | |
C05 | C06 | sing | 1.53Å | 1.52Å | |
C02 | C01 | sing | 1.53Å | 1.54Å | |
C06 | C3 | sing | 1.53Å | 1.52Å | |
C01 | C3 | sing | 1.53Å | 1.53Å | |
CAZ | H7 | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
CBA | H13 | sing | 1.09Å | 1.10Å | |
CBA | H14 | sing | 1.09Å | 1.10Å | |
CBA | H15 | sing | 1.09Å | 1.10Å | |
C01 | H41 | sing | 1.09Å | 1.10Å | |
C01 | H42 | sing | 1.09Å | 1.10Å | |
C02 | H43 | sing | 1.09Å | 1.10Å | |
C02 | H44 | sing | 1.09Å | 1.10Å | |
N02 | H45 | sing | 1.01Å | 1.00Å | |
C3 | H46 | sing | 1.09Å | 1.10Å | |
C3 | H47 | sing | 1.09Å | 1.10Å | |
C05 | H48 | sing | 1.09Å | 1.10Å | |
C06 | H49 | sing | 1.09Å | 1.10Å | |
C06 | H50 | sing | 1.09Å | 1.10Å | |
CAZ | H51 | sing | 1.09Å | 1.10Å | |
C05 | H34 | sing | 1.09Å | 1.10Å | |
C | OXT | sing | 1.34Å | 15.70Å | |
OXT | HXT | sing | 0.97Å | 0.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
N02 | H1 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 119.3° | 120.0° |
O | C | OXT | 148.4° | 120.0° |
C | CA | N | 108.0° | 109.5° |
C | CA | CBA | 105.9° | 109.5° |
C | CA | CAZ | 110.5° | 109.5° |
CA | C | OXT | 35.5° | 120.0° |
N | CA | CBA | 113.1° | 109.5° |
N | CA | CAZ | 109.7° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
CBA | CA | CAZ | 109.5° | 109.5° |
CA | CBA | H13 | 109.5° | 109.5° |
CA | CBA | H14 | 109.5° | 109.5° |
CA | CBA | H15 | 109.5° | 109.5° |
CA | CAZ | C05 | 120.7° | 109.5° |
CA | CAZ | H7 | 106.6° | 109.5° |
CA | CAZ | H51 | 106.6° | 109.4° |
CAZ | C05 | C06 | 115.5° | 109.5° |
C05 | CAZ | H7 | 106.6° | 109.4° |
CAZ | C05 | H48 | 107.9° | 109.4° |
C05 | CAZ | H51 | 106.6° | 109.5° |
CAZ | C05 | H34 | 107.9° | 109.5° |
N02 | C02 | C01 | 117.0° | 109.5° |
N02 | C02 | H43 | 107.5° | 109.4° |
N02 | C02 | H44 | 107.6° | 109.4° |
C02 | N02 | H45 | 109.5° | 111.0° |
C02 | N02 | H1 | 109.5° | 111.0° |
C05 | C06 | C3 | 116.6° | 109.5° |
C06 | C05 | H48 | 108.0° | 109.5° |
C05 | C06 | H49 | 107.7° | 109.5° |
C05 | C06 | H50 | 107.7° | 109.5° |
C06 | C05 | H34 | 107.9° | 109.5° |
C02 | C01 | C3 | 117.4° | 109.4° |
C02 | C01 | H41 | 107.5° | 109.6° |
C02 | C01 | H42 | 107.4° | 109.5° |
C01 | C02 | H43 | 107.6° | 109.5° |
C01 | C02 | H44 | 107.6° | 109.5° |
C06 | C3 | C01 | 117.3° | 109.5° |
C06 | C3 | H46 | 107.5° | 109.4° |
C06 | C3 | H47 | 107.5° | 109.5° |
C3 | C06 | H49 | 107.7° | 109.4° |
C3 | C06 | H50 | 107.7° | 109.5° |
C3 | C01 | H41 | 107.4° | 109.5° |
C3 | C01 | H42 | 107.4° | 109.4° |
C01 | C3 | H46 | 107.5° | 109.5° |
C01 | C3 | H47 | 107.4° | 109.5° |
H7 | CAZ | H51 | 109.5° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
H13 | CBA | H14 | 109.4° | 109.4° |
H13 | CBA | H15 | 109.5° | 109.5° |
H14 | CBA | H15 | 109.5° | 109.5° |
H41 | C01 | H42 | 109.5° | 109.4° |
H43 | C02 | H44 | 109.4° | 109.5° |
H45 | N02 | H1 | 109.5° | 111.0° |
H46 | C3 | H47 | 109.5° | 109.5° |
H48 | C05 | H34 | 109.5° | 109.4° |
H49 | C06 | H50 | 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 | CA | OXT | 153.5° | 180.0° |
O | C | CA | N | 134.5° | 145.0° |
O | C | CA | CBA | 104.1° | 95.0° |
O | C | CA | CAZ | 14.4° | 25.0° |
O | C | OXT | HXT | 90.0° | 0.0° |
C | CA | N | CBA | 116.8° | 120.0° |
C | CA | N | CAZ | 120.6° | 120.0° |
C | CA | CBA | CAZ | 119.2° | 120.0° |
C | CA | CAZ | C05 | 110.2° | 180.0° |
C | CA | CAZ | H7 | 11.4° | 60.0° |
C | CA | N | H | 180.0° | 60.0° |
C | CA | CBA | H13 | 180.0° | 180.0° |
C | CA | CBA | H14 | 60.0° | 60.1° |
C | CA | CBA | H15 | 60.0° | 60.0° |
C | CA | CAZ | H51 | 128.3° | 60.0° |
CA | C | OXT | HXT | 90.0° | 180.0° |
C | CA | N | H2 | 60.0° | 63.9° |
N | CA | CBA | CAZ | 122.7° | 120.0° |
N | CA | CAZ | C05 | 130.8° | 60.0° |
N | CA | CAZ | H7 | 107.6° | 179.9° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CBA | H13 | 61.9° | 60.0° |
N | CA | CBA | H14 | 58.1° | 60.0° |
N | CA | CBA | H15 | 178.1° | 180.0° |
N | CA | CAZ | H51 | 9.3° | 60.0° |
N | CA | C | OXT | 72.0° | 35.0° |
CBA | CA | CAZ | C05 | 6.1° | 60.0° |
CBA | CA | CAZ | H7 | 127.7° | 59.9° |
CBA | CA | N | H | 63.2° | 180.0° |
CA | CBA | H13 | H14 | 120.0° | 120.0° |
CA | CBA | H13 | H15 | 120.0° | 120.0° |
CA | CBA | H14 | H15 | 120.0° | 120.0° |
CBA | CA | CAZ | H51 | 115.4° | 180.0° |
CBA | CA | C | OXT | 49.4° | 85.0° |
CBA | CA | N | H2 | 176.9° | 56.1° |
CA | CAZ | C05 | H7 | 121.6° | 120.0° |
CA | CAZ | C05 | H51 | 121.6° | 120.0° |
CA | CAZ | C05 | C06 | 162.7° | 180.0° |
CA | CAZ | H7 | H51 | 114.9° | 120.0° |
CAZ | CA | N | H | 59.4° | 60.0° |
CAZ | CA | CBA | H13 | 60.8° | 60.0° |
CAZ | CA | CBA | H14 | 179.2° | 180.0° |
CAZ | CA | CBA | H15 | 59.2° | 60.0° |
CA | CAZ | C05 | H48 | 41.8° | 60.0° |
CA | CAZ | C05 | H34 | 76.5° | 59.9° |
CAZ | CA | C | OXT | 167.9° | 155.0° |
CAZ | CA | N | H2 | 60.5° | 176.1° |
CAZ | C05 | C06 | H48 | 120.9° | 120.0° |
CAZ | C05 | C06 | H34 | 120.9° | 120.1° |
CAZ | C05 | C06 | C3 | 17.6° | 180.0° |
C05 | CAZ | H7 | H51 | 114.9° | 120.1° |
CAZ | C05 | H48 | H34 | 117.2° | 120.0° |
CAZ | C05 | C06 | H49 | 138.6° | 60.0° |
CAZ | C05 | C06 | H50 | 103.5° | 60.0° |
N02 | C02 | C01 | H43 | 121.1° | 119.9° |
N02 | C02 | C01 | H44 | 121.1° | 120.0° |
N02 | C02 | C01 | C3 | 92.1° | 180.0° |
N02 | C02 | C01 | H41 | 29.1° | 60.0° |
N02 | C02 | C01 | H42 | 146.8° | 60.1° |
N02 | C02 | H43 | H44 | 116.6° | 119.9° |
C02 | N02 | H45 | H1 | 120.0° | 124.0° |
C05 | C06 | C3 | H49 | 121.0° | 120.0° |
C05 | C06 | C3 | H50 | 121.0° | 120.0° |
C05 | C06 | C3 | C01 | 97.8° | 180.0° |
C06 | C05 | CAZ | H7 | 75.8° | 60.1° |
C05 | C06 | C3 | H46 | 23.4° | 60.0° |
C05 | C06 | C3 | H47 | 141.1° | 60.0° |
C06 | C05 | H48 | H34 | 117.3° | 120.0° |
C05 | C06 | H49 | H50 | 116.8° | 120.0° |
C06 | C05 | CAZ | H51 | 41.1° | 60.0° |
C02 | C01 | C3 | C06 | 115.1° | 180.0° |
C02 | C01 | C3 | H41 | 121.1° | 120.1° |
C02 | C01 | C3 | H42 | 121.1° | 120.0° |
C02 | C01 | H41 | H42 | 116.4° | 120.1° |
C01 | C02 | H43 | H44 | 116.6° | 120.1° |
C01 | C02 | N02 | H45 | 180.0° | 56.0° |
C02 | C01 | C3 | H46 | 6.1° | 60.0° |
C02 | C01 | C3 | H47 | 123.8° | 60.0° |
C01 | C02 | N02 | H1 | 60.0° | 180.0° |
C06 | C3 | C01 | H46 | 121.2° | 119.9° |
C06 | C3 | C01 | H47 | 121.1° | 120.0° |
C06 | C3 | C01 | H41 | 6.1° | 60.0° |
C06 | C3 | C01 | H42 | 123.8° | 60.0° |
C06 | C3 | H46 | H47 | 116.5° | 120.0° |
C3 | C06 | C05 | H48 | 103.3° | 60.0° |
C3 | C06 | H49 | H50 | 116.8° | 120.0° |
C3 | C06 | C05 | H34 | 138.4° | 60.0° |
C3 | C01 | H41 | H42 | 116.4° | 119.9° |
C3 | C01 | C02 | H43 | 146.8° | 60.0° |
C3 | C01 | C02 | H44 | 29.1° | 60.0° |
C01 | C3 | H46 | H47 | 116.4° | 120.0° |
C01 | C3 | C06 | H49 | 141.2° | 60.0° |
C01 | C3 | C06 | H50 | 23.3° | 60.0° |
H7 | CAZ | C05 | H48 | 163.3° | 180.0° |
H7 | CAZ | C05 | H34 | 45.1° | 60.0° |
H13 | CBA | H14 | H15 | 120.0° | 120.0° |
H41 | C01 | C02 | H43 | 92.0° | 60.0° |
H41 | C01 | C02 | H44 | 150.2° | 180.0° |
H41 | C01 | C3 | H46 | 127.2° | 179.9° |
H41 | C01 | C3 | H47 | 115.1° | 60.0° |
H42 | C01 | C02 | H43 | 25.7° | 180.0° |
H42 | C01 | C02 | H44 | 92.1° | 59.9° |
H42 | C01 | C3 | H46 | 115.1° | 60.0° |
H42 | C01 | C3 | H47 | 2.7° | 180.0° |
H43 | C02 | N02 | H45 | 58.9° | 64.0° |
H43 | C02 | N02 | H1 | 61.1° | 60.0° |
H44 | C02 | N02 | H45 | 58.9° | 176.0° |
H44 | C02 | N02 | H1 | 178.9° | 60.0° |
H46 | C3 | C06 | H49 | 97.6° | 180.0° |
H46 | C3 | C06 | H50 | 144.4° | 60.0° |
H47 | C3 | C06 | H49 | 20.1° | 60.0° |
H47 | C3 | C06 | H50 | 97.8° | 180.0° |
H48 | C05 | C06 | H49 | 17.7° | 60.0° |
H48 | C05 | C06 | H50 | 135.6° | 180.0° |
H48 | C05 | CAZ | H51 | 79.8° | 60.0° |
H49 | C06 | C05 | H34 | 100.5° | 180.0° |
H50 | C06 | C05 | H34 | 17.4° | 60.1° |
H51 | CAZ | C05 | H34 | 161.9° | 179.9° |