TY5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.24Å | |
C | CA | sing | 1.51Å | 1.54Å | |
CA | CB | sing | 1.53Å | 1.57Å | |
CA | N | sing | 1.47Å | 1.50Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
CB | CG | sing | 1.51Å | 1.54Å | |
CB | H41 | sing | 1.09Å | 1.10Å | |
CB | H41A | sing | 1.09Å | 1.10Å | |
CG | CD1 | doub | 1.38Å | 1.43Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.42Å | Aromatic |
CD2 | CE2 | doub | 1.38Å | 1.42Å | Aromatic |
CD2 | H43 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | sing | 1.39Å | 1.43Å | Aromatic |
CE2 | H44 | sing | 1.08Å | 1.08Å | |
CE1 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
CZ | OH | sing | 1.36Å | 1.42Å | |
CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
CE1 | H46 | sing | 1.08Å | 1.08Å | |
CD1 | H47 | sing | 1.08Å | 1.08Å | |
OH | C49 | sing | 1.43Å | 1.45Å | |
C49 | C50 | sing | 1.51Å | 1.53Å | |
C49 | H49 | sing | 1.09Å | 1.10Å | |
C49 | H49A | sing | 1.09Å | 1.10Å | |
C51 | C50 | doub | 1.38Å | 1.42Å | Aromatic |
C50 | C55 | sing | 1.38Å | 1.42Å | Aromatic |
C52 | C51 | sing | 1.38Å | 1.42Å | Aromatic |
C51 | H51 | sing | 1.08Å | 1.08Å | |
C52 | C53 | doub | 1.38Å | 1.42Å | Aromatic |
C52 | H52 | sing | 1.08Å | 1.08Å | |
C53 | C54 | sing | 1.38Å | 1.42Å | Aromatic |
C53 | H53 | sing | 1.08Å | 1.08Å | |
C54 | C55 | doub | 1.38Å | 1.42Å | Aromatic |
C54 | H54 | sing | 1.08Å | 1.08Å | |
C55 | H55 | sing | 1.08Å | 1.08Å | |
C | OXT | sing | 1.34Å | 139.99Å | |
OXT | HXT | sing | 0.97Å | 0.00Å | |
N | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 118.8° | 120.0° |
O | C | OXT | 155.6° | 120.0° |
C | CA | CB | 109.0° | 109.5° |
C | CA | N | 107.4° | 109.5° |
C | CA | HA | 112.3° | 109.5° |
CA | C | OXT | 83.4° | 120.0° |
CB | CA | N | 112.8° | 109.5° |
CB | CA | HA | 106.9° | 109.5° |
CA | CB | CG | 110.2° | 109.5° |
CA | CB | H41 | 109.2° | 109.5° |
CA | CB | H41A | 109.2° | 109.5° |
N | CA | HA | 108.5° | 109.4° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
H | N | H2 | 109.5° | 110.9° |
CG | CB | H41 | 109.2° | 109.5° |
CG | CB | H41A | 109.2° | 109.5° |
CB | CG | CD1 | 119.2° | 120.0° |
CB | CG | CD2 | 121.7° | 120.0° |
H41 | CB | H41A | 109.7° | 109.5° |
CD1 | CG | CD2 | 119.1° | 120.1° |
CG | CD1 | CE1 | 120.4° | 120.1° |
CG | CD1 | H47 | 119.8° | 119.9° |
CG | CD2 | CE2 | 120.6° | 120.1° |
CG | CD2 | H43 | 119.7° | 120.0° |
CE2 | CD2 | H43 | 119.7° | 120.0° |
CD2 | CE2 | CZ | 119.9° | 119.9° |
CD2 | CE2 | H44 | 120.1° | 120.0° |
CZ | CE2 | H44 | 120.1° | 120.1° |
CE2 | CZ | CE1 | 119.0° | 119.9° |
CE2 | CZ | OH | 124.9° | 120.0° |
CE1 | CZ | OH | 116.2° | 120.1° |
CZ | CE1 | CD1 | 121.1° | 120.0° |
CZ | CE1 | H46 | 119.4° | 120.0° |
CZ | OH | C49 | 127.0° | 117.0° |
CD1 | CE1 | H46 | 119.4° | 120.0° |
CE1 | CD1 | H47 | 119.8° | 120.0° |
OH | C49 | C50 | 115.8° | 109.5° |
OH | C49 | H49 | 107.4° | 109.5° |
OH | C49 | H49A | 107.4° | 109.4° |
C50 | C49 | H49 | 107.4° | 109.5° |
C50 | C49 | H49A | 107.4° | 109.4° |
C49 | C50 | C51 | 119.8° | 120.0° |
C49 | C50 | C55 | 120.6° | 120.0° |
H49 | C49 | H49A | 111.4° | 109.5° |
C51 | C50 | C55 | 119.6° | 120.0° |
C50 | C51 | C52 | 120.7° | 120.0° |
C50 | C51 | H51 | 119.7° | 120.0° |
C50 | C55 | C54 | 119.8° | 120.0° |
C50 | C55 | H55 | 120.1° | 120.0° |
C52 | C51 | H51 | 119.7° | 120.0° |
C51 | C52 | C53 | 119.8° | 120.0° |
C51 | C52 | H52 | 120.1° | 120.1° |
C53 | C52 | H52 | 120.1° | 120.0° |
C52 | C53 | C54 | 119.8° | 120.0° |
C52 | C53 | H53 | 120.1° | 120.0° |
C54 | C53 | H53 | 120.1° | 120.0° |
C53 | C54 | C55 | 120.4° | 120.0° |
C53 | C54 | H54 | 119.8° | 120.0° |
C55 | C54 | H54 | 119.8° | 120.0° |
C54 | C55 | H55 | 120.1° | 120.0° |
C | OXT | HXT | 90.0° | 116.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 169.2° | 179.7° |
O | C | CA | CB | 69.5° | 100.0° |
O | C | CA | N | 53.0° | 20.0° |
O | C | CA | HA | 172.2° | 140.0° |
O | C | OXT | HXT | 90.0° | 0.0° |
C | CA | CB | N | 119.2° | 120.0° |
C | CA | CB | HA | 121.6° | 120.0° |
C | CA | N | HA | 121.6° | 120.0° |
C | CA | N | H | 180.0° | 63.9° |
C | CA | CB | CG | 177.7° | 175.0° |
C | CA | CB | H41 | 62.4° | 65.0° |
C | CA | CB | H41A | 57.6° | 55.0° |
CA | C | OXT | HXT | 90.0° | 179.7° |
C | CA | N | H2 | 60.0° | 60.0° |
CB | CA | N | HA | 118.3° | 120.0° |
CB | CA | N | H | 59.9° | 176.0° |
CA | CB | CG | H41 | 120.0° | 120.0° |
CA | CB | CG | H41A | 120.0° | 120.0° |
CA | CB | H41 | H41A | 119.7° | 120.0° |
CA | CB | CG | CD1 | 78.3° | 90.0° |
CA | CB | CG | CD2 | 101.3° | 89.8° |
CB | CA | C | OXT | 99.7° | 79.7° |
CB | CA | N | H2 | 179.9° | 60.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | CG | 63.1° | 65.0° |
N | CA | CB | H41 | 56.9° | 55.0° |
N | CA | CB | H41A | 176.9° | 175.0° |
N | CA | C | OXT | 137.8° | 160.3° |
HA | CA | N | H | 58.4° | 56.0° |
HA | CA | CB | CG | 56.0° | 55.0° |
HA | CA | CB | H41 | 176.0° | 175.0° |
HA | CA | CB | H41A | 64.0° | 65.0° |
HA | CA | C | OXT | 18.6° | 40.3° |
HA | CA | N | H2 | 61.6° | 179.9° |
CG | CB | H41 | H41A | 119.7° | 120.0° |
CB | CG | CD1 | CD2 | 179.6° | 179.8° |
CB | CG | CD2 | CE2 | 179.8° | 180.0° |
CB | CG | CD2 | H43 | 0.2° | 0.0° |
CB | CG | CD1 | CE1 | 179.8° | 179.7° |
CB | CG | CD1 | H47 | 0.2° | 0.1° |
H41 | CB | CG | CD1 | 161.7° | 30.0° |
H41 | CB | CG | CD2 | 18.7° | 150.3° |
H41A | CB | CG | CD1 | 41.7° | 150.0° |
H41A | CB | CG | CD2 | 138.7° | 30.2° |
CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
CD1 | CG | CD2 | H43 | 179.8° | 179.7° |
CG | CD1 | CE1 | CZ | 0.2° | 0.5° |
CG | CD1 | CE1 | H47 | 180.0° | 179.8° |
CG | CD1 | CE1 | H46 | 179.8° | 179.7° |
CG | CD2 | CE2 | H43 | 180.0° | 180.0° |
CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
CG | CD2 | CE2 | H44 | 179.9° | 180.0° |
CD2 | CG | CD1 | CE1 | 0.2° | 0.5° |
CD2 | CG | CD1 | H47 | 179.8° | 179.7° |
CD2 | CE2 | CZ | H44 | 180.0° | 180.0° |
CD2 | CE2 | CZ | CE1 | 0.0° | 0.0° |
CD2 | CE2 | CZ | OH | 179.7° | 180.0° |
H43 | CD2 | CE2 | CZ | 179.9° | 180.0° |
H43 | CD2 | CE2 | H44 | 0.1° | 0.0° |
CE2 | CZ | CE1 | OH | 179.7° | 180.0° |
CE2 | CZ | CE1 | CD1 | 0.1° | 0.2° |
CE2 | CZ | CE1 | H46 | 180.0° | 179.9° |
CE2 | CZ | OH | C49 | 0.1° | 180.0° |
H44 | CE2 | CZ | CE1 | 180.0° | 180.0° |
H44 | CE2 | CZ | OH | 0.3° | 0.0° |
CZ | CE1 | CD1 | H46 | 180.0° | 179.8° |
CZ | CE1 | CD1 | H47 | 179.8° | 179.7° |
CE1 | CZ | OH | C49 | 179.8° | 0.0° |
OH | CZ | CE1 | CD1 | 179.8° | 179.8° |
OH | CZ | CE1 | H46 | 0.2° | 0.0° |
CZ | OH | C49 | C50 | 76.9° | 180.0° |
CZ | OH | C49 | H49 | 163.1° | 60.0° |
CZ | OH | C49 | H49A | 43.1° | 60.1° |
H46 | CE1 | CD1 | H47 | 0.2° | 0.1° |
OH | C49 | C50 | H49 | 120.0° | 120.0° |
OH | C49 | C50 | H49A | 120.0° | 119.9° |
OH | C49 | H49 | H49A | 117.4° | 120.0° |
OH | C49 | C50 | C51 | 24.9° | 89.7° |
OH | C49 | C50 | C55 | 155.3° | 90.0° |
C50 | C49 | H49 | H49A | 117.4° | 120.0° |
C49 | C50 | C51 | C55 | 179.8° | 179.7° |
C49 | C50 | C51 | C52 | 179.9° | 180.0° |
C49 | C50 | C51 | H51 | 0.0° | 0.0° |
C49 | C50 | C55 | C54 | 179.9° | 179.8° |
C49 | C50 | C55 | H55 | 0.1° | 0.0° |
H49 | C49 | C50 | C51 | 95.1° | 150.3° |
H49 | C49 | C50 | C55 | 84.7° | 30.0° |
H49A | C49 | C50 | C51 | 144.9° | 30.3° |
H49A | C49 | C50 | C55 | 35.3° | 150.1° |
C50 | C51 | C52 | H51 | 180.0° | 180.0° |
C50 | C51 | C52 | C53 | 0.1° | 0.0° |
C50 | C51 | C52 | H52 | 179.9° | 180.0° |
C51 | C50 | C55 | C54 | 0.3° | 0.5° |
C51 | C50 | C55 | H55 | 179.7° | 179.7° |
C55 | C50 | C51 | C52 | 0.3° | 0.3° |
C55 | C50 | C51 | H51 | 179.8° | 179.7° |
C50 | C55 | C54 | C53 | 0.3° | 0.5° |
C50 | C55 | C54 | H55 | 180.0° | 179.8° |
C50 | C55 | C54 | H54 | 179.8° | 179.7° |
C51 | C52 | C53 | H52 | 180.0° | 180.0° |
C51 | C52 | C53 | C54 | 0.0° | 0.0° |
C51 | C52 | C53 | H53 | 180.0° | 180.0° |
H51 | C51 | C52 | C53 | 180.0° | 179.9° |
H51 | C51 | C52 | H52 | 0.0° | 0.1° |
C52 | C53 | C54 | H53 | 180.0° | 180.0° |
C52 | C53 | C54 | C55 | 0.1° | 0.2° |
C52 | C53 | C54 | H54 | 179.9° | 179.9° |
H52 | C52 | C53 | C54 | 180.0° | 180.0° |
H52 | C52 | C53 | H53 | 0.0° | 0.0° |
C53 | C54 | C55 | H54 | 180.0° | 179.9° |
C53 | C54 | C55 | H55 | 179.7° | 179.8° |
H53 | C53 | C54 | C55 | 179.9° | 179.8° |
H53 | C53 | C54 | H54 | 0.1° | 0.0° |
H54 | C54 | C55 | H55 | 0.2° | 0.1° |