T7H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.45Å | |
N | C12 | sing | 1.47Å | 1.45Å | |
CA | C1 | sing | 1.53Å | 1.52Å | |
C12 | C13 | sing | 1.51Å | 1.51Å | |
O2 | C13 | doub | 1.21Å | 1.25Å | |
C1 | S1 | sing | 1.81Å | 1.82Å | |
C13 | O5 | sing | 1.34Å | 1.26Å | |
C2 | C | sing | 1.51Å | 1.54Å | |
C2 | C4 | sing | 1.53Å | 1.52Å | |
C | O | doub | 1.21Å | 1.33Å | |
S1 | C4 | sing | 1.81Å | 1.81Å | |
C | OXT | sing | 1.34Å | 1.44Å | |
C12 | H1 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
CA | HA2 | sing | 1.09Å | 1.10Å | |
CA | HA3 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
C2 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
O5 | H13 | sing | 0.97Å | 0.95Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | C12 | 121.0° | 111.0° |
N | CA | C1 | 110.7° | 109.5° |
N | CA | HA2 | 109.2° | 109.5° |
N | CA | HA3 | 109.1° | 109.5° |
CA | N | H | 106.5° | 111.0° |
N | C12 | C13 | 111.8° | 109.5° |
N | C12 | H1 | 108.9° | 109.4° |
N | C12 | H11 | 108.9° | 109.5° |
C12 | N | H | 106.5° | 111.0° |
CA | C1 | S1 | 111.8° | 109.5° |
C1 | CA | HA2 | 109.2° | 109.5° |
C1 | CA | HA3 | 109.2° | 109.4° |
CA | C1 | H5 | 108.9° | 109.4° |
CA | C1 | H6 | 108.9° | 109.5° |
C12 | C13 | O2 | 119.3° | 120.0° |
C12 | C13 | O5 | 119.4° | 120.0° |
C13 | C12 | H1 | 108.9° | 109.5° |
C13 | C12 | H11 | 108.9° | 109.5° |
O2 | C13 | O5 | 121.3° | 120.0° |
C1 | S1 | C4 | 102.6° | 103.0° |
S1 | C1 | H5 | 108.9° | 109.5° |
S1 | C1 | H6 | 108.9° | 109.5° |
C13 | O5 | H13 | 109.5° | 117.0° |
C | C2 | C4 | 109.5° | 109.5° |
C2 | C | O | 116.1° | 120.0° |
C2 | C | OXT | 123.2° | 120.0° |
C | C2 | H7 | 109.5° | 109.5° |
C | C2 | H8 | 109.5° | 109.5° |
C2 | C4 | S1 | 112.5° | 109.5° |
C4 | C2 | H7 | 109.5° | 109.5° |
C4 | C2 | H8 | 109.5° | 109.5° |
C2 | C4 | H9 | 108.7° | 109.5° |
C2 | C4 | H10 | 108.7° | 109.5° |
O | C | OXT | 119.8° | 120.1° |
S1 | C4 | H9 | 108.7° | 109.5° |
S1 | C4 | H10 | 108.7° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
H1 | C12 | H11 | 109.5° | 109.5° |
HA2 | CA | HA3 | 109.5° | 109.4° |
H5 | C1 | H6 | 109.5° | 109.4° |
H7 | C2 | H8 | 109.4° | 109.5° |
H9 | C4 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | C12 | H | 121.6° | 124.0° |
N | CA | C1 | HA2 | 120.2° | 120.1° |
N | CA | C1 | HA3 | 120.2° | 120.0° |
CA | N | C12 | C13 | 69.9° | 180.0° |
N | CA | C1 | S1 | 77.9° | 180.0° |
CA | N | C12 | H1 | 169.7° | 60.1° |
CA | N | C12 | H11 | 50.5° | 60.0° |
N | CA | HA2 | HA3 | 119.4° | 120.0° |
N | CA | C1 | H5 | 42.4° | 60.0° |
N | CA | C1 | H6 | 161.7° | 59.9° |
C12 | N | CA | C1 | 95.9° | 180.0° |
N | C12 | C13 | H1 | 120.3° | 119.9° |
N | C12 | C13 | H11 | 120.3° | 120.0° |
N | C12 | C13 | O2 | 10.6° | 0.0° |
N | C12 | C13 | O5 | 169.9° | 180.0° |
N | C12 | H1 | H11 | 118.9° | 120.0° |
C12 | N | CA | HA2 | 143.9° | 60.0° |
C12 | N | CA | HA3 | 24.3° | 60.0° |
CA | C1 | S1 | H5 | 120.3° | 120.0° |
CA | C1 | S1 | H6 | 120.3° | 120.1° |
CA | C1 | S1 | C4 | 180.0° | 180.0° |
C1 | CA | HA2 | HA3 | 119.4° | 119.9° |
CA | C1 | H5 | H6 | 118.9° | 120.0° |
C1 | CA | N | H | 142.5° | 56.0° |
C12 | C13 | O2 | O5 | 179.5° | 180.0° |
C13 | C12 | H1 | H11 | 119.0° | 120.1° |
C13 | C12 | N | H | 51.7° | 56.1° |
C12 | C13 | O5 | H13 | 179.4° | 180.0° |
O2 | C13 | C12 | H1 | 109.7° | 119.9° |
O2 | C13 | C12 | H11 | 131.0° | 120.0° |
O2 | C13 | O5 | H13 | 0.0° | 0.0° |
C1 | S1 | C4 | C2 | 74.5° | 180.0° |
S1 | C1 | CA | HA2 | 161.9° | 59.9° |
S1 | C1 | CA | HA3 | 42.2° | 60.0° |
S1 | C1 | H5 | H6 | 118.9° | 120.0° |
C1 | S1 | C4 | H9 | 165.1° | 60.0° |
C1 | S1 | C4 | H10 | 46.0° | 60.0° |
O5 | C13 | C12 | H1 | 69.8° | 60.0° |
O5 | C13 | C12 | H11 | 49.5° | 60.0° |
C | C2 | C4 | H7 | 120.0° | 120.0° |
C | C2 | C4 | H8 | 120.0° | 120.0° |
C2 | C | O | OXT | 169.9° | 179.9° |
C | C2 | C4 | S1 | 56.9° | 180.0° |
C | C2 | H7 | H8 | 120.0° | 120.0° |
C | C2 | C4 | H9 | 63.6° | 60.0° |
C | C2 | C4 | H10 | 177.3° | 60.0° |
C2 | C | OXT | HXT | 169.2° | 180.0° |
C4 | C2 | C | O | 66.4° | 0.0° |
C2 | C4 | S1 | H9 | 120.5° | 120.0° |
C2 | C4 | S1 | H10 | 120.4° | 120.0° |
C4 | C2 | C | OXT | 124.0° | 180.0° |
C4 | C2 | H7 | H8 | 120.0° | 120.0° |
C2 | C4 | H9 | H10 | 118.6° | 120.0° |
O | C | C2 | H7 | 53.6° | 120.0° |
O | C | C2 | H8 | 173.5° | 119.9° |
O | C | OXT | HXT | 0.0° | 0.1° |
C4 | S1 | C1 | H5 | 59.6° | 60.0° |
C4 | S1 | C1 | H6 | 59.7° | 59.9° |
S1 | C4 | C2 | H7 | 176.9° | 60.0° |
S1 | C4 | C2 | H8 | 63.2° | 60.0° |
S1 | C4 | H9 | H10 | 118.6° | 120.0° |
OXT | C | C2 | H7 | 115.9° | 60.1° |
OXT | C | C2 | H8 | 4.0° | 60.0° |
H1 | C12 | N | H | 68.6° | 63.9° |
H11 | C12 | N | H | 172.1° | 176.1° |
HA2 | CA | C1 | H5 | 77.8° | 60.1° |
HA2 | CA | C1 | H6 | 41.6° | 180.0° |
HA2 | CA | N | H | 22.3° | 176.0° |
HA3 | CA | C1 | H5 | 162.6° | 180.0° |
HA3 | CA | C1 | H6 | 78.1° | 60.1° |
HA3 | CA | N | H | 97.4° | 64.0° |
H7 | C2 | C4 | H9 | 56.4° | 180.0° |
H7 | C2 | C4 | H10 | 62.7° | 60.0° |
H8 | C2 | C4 | H9 | 176.4° | 60.0° |
H8 | C2 | C4 | H10 | 57.3° | 180.0° |