WET
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OXT | C | sing | 1.34Å | 1.35Å | |
O | C | doub | 1.21Å | 1.22Å | |
O03 | C09 | sing | 1.36Å | 1.36Å | |
O03 | H11 | sing | 0.97Å | 0.95Å | |
N | CA | sing | 1.47Å | 1.48Å | |
N | C05 | sing | 1.47Å | 1.47Å | |
N | H | sing | 1.01Å | 1.00Å | |
CA | C02 | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CA | C | sing | 1.51Å | 1.53Å | |
C02 | C03 | sing | 1.51Å | 1.51Å | |
C02 | H03 | sing | 1.09Å | 1.10Å | |
C02 | H02 | sing | 1.09Å | 1.10Å | |
C03 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
C04 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.51Å | 1.51Å | |
C05 | H04 | sing | 1.09Å | 1.10Å | |
C05 | H05 | sing | 1.09Å | 1.10Å | |
C06 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C06 | H07 | sing | 1.08Å | 1.08Å | |
C07 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | H08 | sing | 1.08Å | 1.08Å | |
C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | H09 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OXT | C | O | 119.5° | 120.0° |
OXT | C | CA | 113.5° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
O | C | CA | 126.9° | 120.0° |
C09 | O03 | H11 | 109.5° | 114.0° |
O03 | C09 | C07 | 117.7° | 120.1° |
O03 | C09 | C10 | 121.4° | 120.1° |
CA | N | C05 | 112.6° | 110.3° |
CA | N | H | 108.7° | 111.0° |
N | CA | C02 | 110.9° | 108.5° |
N | CA | HA | 107.3° | 109.6° |
N | CA | C | 113.0° | 109.6° |
C05 | N | H | 108.7° | 111.0° |
N | C05 | C04 | 115.4° | 110.5° |
N | C05 | H04 | 108.0° | 109.3° |
N | C05 | H05 | 108.0° | 109.4° |
C02 | CA | HA | 106.7° | 109.6° |
C02 | CA | C | 111.7° | 109.6° |
CA | C02 | C03 | 112.2° | 110.0° |
CA | C02 | H03 | 108.8° | 109.3° |
CA | C02 | H02 | 108.8° | 109.4° |
HA | CA | C | 106.8° | 109.8° |
C03 | C02 | H03 | 108.8° | 109.4° |
C03 | C02 | H02 | 108.8° | 109.4° |
C02 | C03 | C06 | 120.3° | 118.4° |
C02 | C03 | C04 | 119.7° | 121.7° |
H03 | C02 | H02 | 109.5° | 109.3° |
C06 | C03 | C04 | 120.0° | 119.9° |
C03 | C06 | C10 | 120.4° | 120.4° |
C03 | C06 | H07 | 119.8° | 119.8° |
C03 | C04 | C07 | 119.0° | 119.8° |
C03 | C04 | C05 | 121.8° | 121.8° |
C07 | C04 | C05 | 119.1° | 118.4° |
C04 | C07 | C09 | 120.2° | 120.3° |
C04 | C07 | H08 | 119.9° | 119.8° |
C04 | C05 | H04 | 108.0° | 109.3° |
C04 | C05 | H05 | 108.0° | 109.3° |
H04 | C05 | H05 | 109.5° | 109.1° |
C10 | C06 | H07 | 119.8° | 119.8° |
C06 | C10 | C09 | 119.5° | 119.8° |
C06 | C10 | H09 | 120.3° | 120.1° |
C09 | C07 | H08 | 119.9° | 119.9° |
C07 | C09 | C10 | 120.9° | 119.8° |
C09 | C10 | H09 | 120.3° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OXT | C | O | CA | 175.3° | 180.0° |
OXT | C | CA | N | 29.1° | 160.0° |
OXT | C | CA | C02 | 155.0° | 81.0° |
OXT | C | CA | HA | 88.7° | 39.5° |
O | C | CA | N | 155.4° | 20.0° |
O | C | CA | C02 | 29.4° | 99.0° |
O | C | CA | HA | 86.9° | 140.5° |
O | C | OXT | HXT | 0.0° | 0.0° |
O03 | C09 | C07 | C04 | 179.4° | 180.0° |
O03 | C09 | C10 | C06 | 179.1° | 179.9° |
O03 | C09 | C07 | C10 | 179.7° | 180.0° |
O03 | C09 | C07 | H08 | 0.6° | 0.0° |
O03 | C09 | C10 | H09 | 0.9° | 0.1° |
H11 | O03 | C09 | C07 | 180.0° | 90.0° |
H11 | O03 | C09 | C10 | 0.2° | 90.0° |
CA | N | C05 | H | 120.5° | 123.4° |
N | CA | C02 | HA | 116.6° | 119.7° |
N | CA | C02 | C | 127.1° | 119.7° |
N | CA | HA | C | 121.5° | 120.5° |
N | CA | C02 | C03 | 50.9° | 50.4° |
N | CA | C02 | H03 | 171.3° | 170.5° |
N | CA | C02 | H02 | 69.5° | 69.8° |
CA | N | C05 | C04 | 39.2° | 52.6° |
CA | N | C05 | H04 | 160.1° | 67.7° |
CA | N | C05 | H05 | 81.7° | 172.9° |
C05 | N | CA | C02 | 60.2° | 71.3° |
C05 | N | CA | HA | 176.4° | 48.4° |
C05 | N | CA | C | 66.1° | 169.0° |
N | C05 | C04 | C03 | 10.2° | 17.7° |
N | C05 | C04 | C07 | 172.8° | 162.6° |
N | C05 | C04 | H04 | 120.9° | 120.3° |
N | C05 | C04 | H05 | 120.9° | 120.3° |
N | C05 | H04 | H05 | 117.3° | 119.5° |
H | N | CA | C02 | 60.2° | 165.3° |
H | N | CA | HA | 56.0° | 75.0° |
H | N | CA | C | 173.4° | 45.6° |
H | N | C05 | C04 | 81.3° | 176.1° |
H | N | C05 | H04 | 39.6° | 55.7° |
H | N | C05 | H05 | 157.9° | 63.7° |
C02 | CA | HA | C | 119.6° | 120.5° |
CA | C02 | C03 | H03 | 120.4° | 120.1° |
CA | C02 | C03 | H02 | 120.4° | 120.2° |
CA | C02 | H03 | H02 | 118.7° | 119.7° |
CA | C02 | C03 | C06 | 159.0° | 163.1° |
CA | C02 | C03 | C04 | 22.5° | 17.0° |
HA | CA | C02 | C03 | 167.5° | 69.3° |
HA | CA | C02 | H03 | 72.1° | 50.8° |
HA | CA | C02 | H02 | 47.1° | 170.5° |
C | CA | C02 | C03 | 76.2° | 170.1° |
C | CA | C02 | H03 | 44.2° | 69.8° |
C | CA | C02 | H02 | 163.4° | 49.9° |
CA | C | OXT | HXT | 175.9° | 180.0° |
C03 | C02 | H03 | H02 | 118.8° | 119.8° |
C02 | C03 | C06 | C04 | 178.5° | 179.9° |
C02 | C03 | C04 | C07 | 179.3° | 179.7° |
C02 | C03 | C04 | C05 | 2.2° | 0.6° |
C02 | C03 | C06 | C10 | 179.5° | 179.8° |
C02 | C03 | C06 | H07 | 0.5° | 0.1° |
H03 | C02 | C03 | C06 | 38.6° | 43.0° |
H03 | C02 | C03 | C04 | 142.9° | 137.1° |
H02 | C02 | C03 | C06 | 80.6° | 76.7° |
H02 | C02 | C03 | C04 | 98.0° | 103.2° |
C06 | C03 | C04 | C07 | 2.2° | 0.2° |
C06 | C03 | C04 | C05 | 179.3° | 179.5° |
C03 | C06 | C10 | H07 | 180.0° | 180.0° |
C03 | C06 | C10 | C09 | 0.5° | 0.0° |
C03 | C06 | C10 | H09 | 179.5° | 179.9° |
C03 | C04 | C07 | C05 | 177.2° | 179.7° |
C03 | C04 | C05 | H04 | 131.0° | 102.6° |
C03 | C04 | C05 | H05 | 110.7° | 138.0° |
C04 | C03 | C06 | C10 | 1.9° | 0.1° |
C04 | C03 | C06 | H07 | 178.1° | 179.9° |
C03 | C04 | C07 | C09 | 1.1° | 0.1° |
C03 | C04 | C07 | H08 | 178.9° | 179.9° |
C07 | C04 | C05 | H04 | 51.9° | 77.1° |
C07 | C04 | C05 | H05 | 66.4° | 42.3° |
C04 | C07 | C09 | H08 | 180.0° | 179.9° |
C04 | C07 | C09 | C10 | 0.4° | 0.0° |
C04 | C05 | H04 | H05 | 117.3° | 119.4° |
C05 | C04 | C07 | C09 | 178.2° | 179.6° |
C05 | C04 | C07 | H08 | 1.8° | 0.4° |
C06 | C10 | C09 | C07 | 0.6° | 0.1° |
C06 | C10 | C09 | H09 | 180.0° | 180.0° |
H07 | C06 | C10 | C09 | 179.5° | 179.9° |
H07 | C06 | C10 | H09 | 0.5° | 0.1° |
C07 | C09 | C10 | H09 | 179.4° | 179.9° |
H08 | C07 | C09 | C10 | 179.6° | 179.9° |