5CT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.42Å | |
CA | C | sing | 1.51Å | 1.49Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
C | O | doub | 1.21Å | 1.26Å | |
CB | CG | sing | 1.53Å | 1.54Å | |
N1 | C4 | sing | 1.47Å | 1.43Å | |
CG | CD | sing | 1.53Å | 1.54Å | |
CD | CE | sing | 1.53Å | 1.55Å | |
C4 | C3 | sing | 1.53Å | 1.54Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
CE | NZ | sing | 1.47Å | 1.46Å | |
C1 | NZ | sing | 1.47Å | 1.46Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C2 | O1 | sing | 1.43Å | 1.39Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
CG | H1 | sing | 1.09Å | 1.10Å | |
CG | H8 | sing | 1.09Å | 1.10Å | |
CD | H3 | sing | 1.09Å | 1.10Å | |
CD | H4 | sing | 1.09Å | 1.10Å | |
CE | H5 | sing | 1.09Å | 1.10Å | |
CE | H6 | sing | 1.09Å | 1.10Å | |
NZ | H7 | sing | 1.01Å | 1.00Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
C1 | H10 | sing | 1.09Å | 1.10Å | |
C2 | H11 | sing | 1.09Å | 1.10Å | |
C3 | H12 | sing | 1.09Å | 1.10Å | |
C3 | H13 | sing | 1.09Å | 1.10Å | |
C4 | H14 | sing | 1.09Å | 1.10Å | |
C4 | H15 | sing | 1.09Å | 1.10Å | |
N1 | H16 | sing | 1.01Å | 1.00Å | |
N1 | H17 | sing | 1.01Å | 1.00Å | |
O1 | H19 | sing | 0.97Å | 0.95Å | |
CB | H20 | sing | 1.09Å | 1.10Å | |
CB | H21 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | C | 107.1° | 109.4° |
N | CA | CB | 110.1° | 109.5° |
N | CA | HA | 110.1° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
C | CA | CB | 111.7° | 109.5° |
CA | C | O | 121.4° | 120.0° |
CA | C | OXT | 115.7° | 120.0° |
C | CA | HA | 109.2° | 109.4° |
CA | CB | CG | 113.0° | 109.5° |
CA | CB | H20 | 108.6° | 109.5° |
CA | CB | H21 | 108.6° | 109.5° |
CB | CA | HA | 108.6° | 109.5° |
O | C | OXT | 122.9° | 120.0° |
CB | CG | CD | 113.3° | 109.5° |
CB | CG | H1 | 108.5° | 109.5° |
CB | CG | H8 | 108.5° | 109.5° |
CG | CB | H20 | 108.6° | 109.4° |
CG | CB | H21 | 108.6° | 109.5° |
N1 | C4 | C3 | 110.1° | 109.5° |
N1 | C4 | H14 | 109.3° | 109.5° |
N1 | C4 | H15 | 109.3° | 109.5° |
C4 | N1 | H16 | 109.5° | 111.0° |
C4 | N1 | H17 | 109.5° | 111.0° |
CG | CD | CE | 113.1° | 109.5° |
CD | CG | H1 | 108.5° | 109.5° |
CD | CG | H8 | 108.5° | 109.5° |
CG | CD | H3 | 108.6° | 109.4° |
CG | CD | H4 | 108.6° | 109.4° |
CD | CE | NZ | 110.5° | 109.5° |
CE | CD | H3 | 108.6° | 109.5° |
CE | CD | H4 | 108.6° | 109.5° |
CD | CE | H5 | 109.2° | 109.5° |
CD | CE | H6 | 109.2° | 109.5° |
C4 | C3 | C2 | 112.4° | 109.5° |
C4 | C3 | H12 | 108.7° | 109.4° |
C4 | C3 | H13 | 108.8° | 109.5° |
C3 | C4 | H14 | 109.3° | 109.4° |
C3 | C4 | H15 | 109.3° | 109.5° |
C3 | C2 | C1 | 109.5° | 109.4° |
C3 | C2 | O1 | 109.1° | 109.5° |
C3 | C2 | H11 | 108.8° | 109.4° |
C2 | C3 | H12 | 108.7° | 109.5° |
C2 | C3 | H13 | 108.7° | 109.5° |
CE | NZ | C1 | 109.2° | 111.0° |
NZ | CE | H5 | 109.2° | 109.4° |
NZ | CE | H6 | 109.2° | 109.5° |
CE | NZ | H7 | 109.5° | 111.0° |
NZ | C1 | C2 | 111.3° | 109.4° |
C1 | NZ | H7 | 109.6° | 111.0° |
NZ | C1 | H9 | 109.0° | 109.4° |
NZ | C1 | H10 | 109.0° | 109.5° |
C1 | C2 | O1 | 110.2° | 109.5° |
C2 | C1 | H9 | 109.0° | 109.4° |
C2 | C1 | H10 | 109.0° | 109.5° |
C1 | C2 | H11 | 108.7° | 109.5° |
O1 | C2 | H11 | 110.6° | 109.5° |
C2 | O1 | H19 | 109.5° | 114.0° |
C | OXT | HXT | 109.5° | 117.0° |
H1 | CG | H8 | 109.5° | 109.4° |
H3 | CD | H4 | 109.4° | 109.5° |
H5 | CE | H6 | 109.5° | 109.4° |
H9 | C1 | H10 | 109.5° | 109.5° |
H12 | C3 | H13 | 109.5° | 109.5° |
H14 | C4 | H15 | 109.4° | 109.4° |
H16 | N1 | H17 | 109.4° | 110.9° |
H20 | CB | H21 | 109.5° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | CA | C | CB | 120.7° | 120.0° |
N | CA | C | HA | 119.2° | 120.0° |
N | CA | CB | HA | 120.7° | 120.0° |
N | CA | C | O | 155.6° | 20.0° |
N | CA | CB | CG | 175.9° | 65.0° |
N | CA | C | OXT | 23.1° | 160.0° |
N | CA | CB | H20 | 63.5° | 175.0° |
N | CA | CB | H21 | 55.4° | 55.0° |
CA | N | H | H2 | 120.0° | 123.9° |
C | CA | CB | HA | 120.5° | 120.0° |
CA | C | O | OXT | 178.6° | 180.0° |
C | CA | CB | CG | 57.1° | 175.0° |
C | CA | CB | H20 | 177.6° | 55.1° |
C | CA | CB | H21 | 63.4° | 65.0° |
C | CA | N | H | 180.0° | 60.0° |
C | CA | N | H2 | 60.0° | 176.0° |
CA | C | OXT | HXT | 178.7° | 180.0° |
CB | CA | C | O | 83.8° | 100.0° |
CA | CB | CG | H20 | 120.5° | 120.0° |
CA | CB | CG | H21 | 120.5° | 120.0° |
CA | CB | CG | CD | 129.3° | 180.0° |
CB | CA | C | OXT | 97.5° | 80.0° |
CA | CB | CG | H1 | 110.1° | 60.0° |
CA | CB | CG | H8 | 8.7° | 60.0° |
CA | CB | H20 | H21 | 118.4° | 120.1° |
CB | CA | N | H | 58.3° | 60.0° |
CB | CA | N | H2 | 178.3° | 64.0° |
O | C | CA | HA | 36.4° | 139.9° |
O | C | OXT | HXT | 0.0° | 0.0° |
CB | CG | CD | H1 | 120.6° | 120.0° |
CB | CG | CD | H8 | 120.6° | 120.0° |
CB | CG | CD | CE | 61.8° | 180.0° |
CB | CG | H1 | H8 | 118.2° | 120.0° |
CB | CG | CD | H3 | 177.7° | 60.0° |
CB | CG | CD | H4 | 58.8° | 60.0° |
CG | CB | H20 | H21 | 118.4° | 120.0° |
CG | CB | CA | HA | 63.4° | 55.0° |
N1 | C4 | C3 | H14 | 120.1° | 120.0° |
N1 | C4 | C3 | H15 | 120.1° | 120.1° |
N1 | C4 | C3 | C2 | 159.4° | 180.0° |
N1 | C4 | C3 | H12 | 80.2° | 60.0° |
N1 | C4 | C3 | H13 | 39.0° | 60.0° |
N1 | C4 | H14 | H15 | 119.7° | 120.0° |
C4 | N1 | H16 | H17 | 120.0° | 123.9° |
CG | CD | CE | H3 | 120.6° | 120.0° |
CG | CD | CE | H4 | 120.6° | 120.0° |
CG | CD | CE | NZ | 168.8° | 180.0° |
CD | CG | H1 | H8 | 118.3° | 120.0° |
CG | CD | H3 | H4 | 118.4° | 120.0° |
CG | CD | CE | H5 | 71.1° | 60.0° |
CG | CD | CE | H6 | 48.6° | 60.0° |
CD | CG | CB | H20 | 8.8° | 60.0° |
CD | CG | CB | H21 | 110.2° | 60.0° |
CD | CE | NZ | H5 | 120.2° | 120.0° |
CD | CE | NZ | H6 | 120.1° | 120.0° |
CD | CE | NZ | C1 | 134.2° | 180.0° |
CE | CD | CG | H1 | 58.8° | 60.0° |
CE | CD | CG | H8 | 177.6° | 60.0° |
CE | CD | H3 | H4 | 118.3° | 120.1° |
CD | CE | H5 | H6 | 119.5° | 120.0° |
CD | CE | NZ | H7 | 105.8° | 56.1° |
C4 | C3 | C2 | H12 | 120.4° | 120.0° |
C4 | C3 | C2 | H13 | 120.5° | 120.0° |
C4 | C3 | C2 | C1 | 113.4° | 175.0° |
C4 | C3 | C2 | O1 | 126.0° | 65.0° |
C4 | C3 | C2 | H11 | 5.3° | 55.1° |
C4 | C3 | H12 | H13 | 118.7° | 120.0° |
C3 | C4 | H14 | H15 | 119.7° | 119.9° |
C3 | C4 | N1 | H16 | 180.0° | 56.1° |
C3 | C4 | N1 | H17 | 60.0° | 179.9° |
C3 | C2 | C1 | NZ | 103.8° | 175.0° |
C3 | C2 | C1 | O1 | 120.0° | 120.0° |
C3 | C2 | C1 | H11 | 118.7° | 119.9° |
C3 | C2 | O1 | H11 | 119.6° | 120.0° |
C3 | C2 | C1 | H9 | 16.5° | 65.1° |
C3 | C2 | C1 | H10 | 136.0° | 55.0° |
C2 | C3 | H12 | H13 | 118.7° | 120.0° |
C2 | C3 | C4 | H14 | 39.3° | 60.0° |
C2 | C3 | C4 | H15 | 80.5° | 59.9° |
C3 | C2 | O1 | H19 | 180.0° | 60.0° |
CE | NZ | C1 | H7 | 120.0° | 123.9° |
CE | NZ | C1 | C2 | 176.3° | 180.0° |
NZ | CE | CD | H3 | 48.2° | 60.0° |
NZ | CE | CD | H4 | 70.6° | 60.0° |
NZ | CE | H5 | H6 | 119.6° | 119.9° |
CE | NZ | C1 | H9 | 56.0° | 60.1° |
CE | NZ | C1 | H10 | 63.4° | 60.0° |
NZ | C1 | C2 | H9 | 120.3° | 119.9° |
NZ | C1 | C2 | H10 | 120.2° | 120.0° |
NZ | C1 | C2 | O1 | 16.2° | 65.0° |
C1 | NZ | CE | H5 | 14.1° | 60.0° |
C1 | NZ | CE | H6 | 105.6° | 59.9° |
NZ | C1 | H9 | H10 | 119.2° | 120.0° |
NZ | C1 | C2 | H11 | 137.6° | 55.1° |
C1 | C2 | O1 | H11 | 120.2° | 120.0° |
C2 | C1 | NZ | H7 | 63.7° | 56.1° |
C2 | C1 | H9 | H10 | 119.2° | 120.1° |
C1 | C2 | C3 | H12 | 7.0° | 65.0° |
C1 | C2 | C3 | H13 | 126.2° | 55.0° |
C1 | C2 | O1 | H19 | 59.8° | 60.0° |
O1 | C2 | C1 | H9 | 136.5° | 54.9° |
O1 | C2 | C1 | H10 | 104.1° | 175.0° |
O1 | C2 | C3 | H12 | 113.6° | 55.0° |
O1 | C2 | C3 | H13 | 5.5° | 175.0° |
OXT | C | CA | HA | 142.3° | 40.0° |
H1 | CG | CD | H3 | 61.8° | 60.0° |
H1 | CG | CD | H4 | 179.3° | 180.0° |
H1 | CG | CB | H20 | 129.3° | 180.0° |
H1 | CG | CB | H21 | 10.4° | 60.0° |
H8 | CG | CD | H3 | 57.1° | 180.0° |
H8 | CG | CD | H4 | 61.8° | 60.0° |
H8 | CG | CB | H20 | 111.8° | 60.0° |
H8 | CG | CB | H21 | 129.2° | 180.0° |
H3 | CD | CE | H5 | 168.4° | 180.0° |
H3 | CD | CE | H6 | 71.9° | 60.0° |
H4 | CD | CE | H5 | 49.5° | 59.9° |
H4 | CD | CE | H6 | 169.2° | 180.0° |
H5 | CE | NZ | H7 | 134.1° | 176.1° |
H6 | CE | NZ | H7 | 14.3° | 64.0° |
H7 | NZ | C1 | H9 | 176.0° | 176.0° |
H7 | NZ | C1 | H10 | 56.5° | 63.9° |
H9 | C1 | C2 | H11 | 102.2° | 175.0° |
H10 | C1 | C2 | H11 | 17.3° | 64.9° |
H11 | C2 | C3 | H12 | 125.7° | 175.0° |
H11 | C2 | C3 | H13 | 115.2° | 64.9° |
H11 | C2 | O1 | H19 | 60.4° | 180.0° |
H12 | C3 | C4 | H14 | 159.7° | 180.0° |
H12 | C3 | C4 | H15 | 40.0° | 60.1° |
H13 | C3 | C4 | H14 | 81.2° | 60.0° |
H13 | C3 | C4 | H15 | 159.1° | 179.9° |
H14 | C4 | N1 | H16 | 59.9° | 63.9° |
H14 | C4 | N1 | H17 | 60.1° | 60.0° |
H15 | C4 | N1 | H16 | 59.9° | 176.1° |
H15 | C4 | N1 | H17 | 179.9° | 60.0° |
H20 | CB | CA | HA | 57.1° | 64.9° |
H21 | CB | CA | HA | 176.1° | 175.0° |
HA | CA | N | H | 61.4° | 180.0° |
HA | CA | N | H2 | 58.6° | 56.1° |