2TQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAF | CAH | sing | 1.50Å | 1.40Å | |
CAF | CD | sing | 1.53Å | 1.51Å | |
CAH | OAB | doub | 1.21Å | 1.23Å | |
CAH | N | sing | 1.35Å | 1.34Å | |
CG | CD | sing | 1.54Å | 1.51Å | |
CG | CB | sing | 1.55Å | 1.54Å | |
CD | N | sing | 1.47Å | 1.47Å | |
N | CA | sing | 1.48Å | 1.48Å | |
CB | CA | sing | 1.55Å | 1.56Å | |
CA | C | sing | 1.51Å | 1.41Å | |
OXT | C | doub | 1.21Å | 1.25Å | |
C | O | sing | 1.34Å | 1.25Å | |
O | H1 | sing | 0.97Å | 0.95Å | |
CA | H2 | sing | 1.09Å | 1.10Å | |
CB | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CG | H5 | sing | 1.09Å | 1.10Å | |
CG | H6 | sing | 1.09Å | 1.10Å | |
CD | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.09Å | 1.10Å | |
CAF | H9 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAH | CAF | CD | 88.4° | 82.5° |
CAF | CAH | OAB | 133.8° | 131.8° |
CAF | CAH | N | 94.1° | 96.5° |
CAH | CAF | H8 | 114.5° | 114.4° |
CAH | CAF | H9 | 114.4° | 114.4° |
CAF | CD | CG | 118.0° | 114.3° |
CAF | CD | N | 84.6° | 90.6° |
CAF | CD | H7 | 116.7° | 114.3° |
CD | CAF | H8 | 114.4° | 114.3° |
CD | CAF | H9 | 114.4° | 114.3° |
OAB | CAH | N | 132.1° | 131.8° |
CAH | N | CD | 92.8° | 90.2° |
CAH | N | CA | 161.3° | 118.6° |
CD | CG | CB | 96.5° | 102.7° |
CG | CD | N | 96.9° | 107.3° |
CD | CG | H5 | 112.6° | 110.7° |
CD | CG | H6 | 112.6° | 110.8° |
CG | CD | H7 | 116.8° | 113.6° |
CG | CB | CA | 104.1° | 101.6° |
CG | CB | H3 | 110.8° | 111.0° |
CG | CB | H4 | 110.8° | 111.0° |
CB | CG | H5 | 112.6° | 110.7° |
CB | CG | H6 | 112.6° | 110.8° |
CD | N | CA | 105.1° | 108.7° |
N | CD | H7 | 117.5° | 114.6° |
N | CA | CB | 100.9° | 105.1° |
N | CA | C | 115.2° | 110.3° |
N | CA | H2 | 108.7° | 110.3° |
CB | CA | C | 114.0° | 110.3° |
CB | CA | H2 | 107.8° | 110.4° |
CA | CB | H3 | 110.8° | 111.0° |
CA | CB | H4 | 110.8° | 111.0° |
CA | C | OXT | 118.0° | 120.0° |
CA | C | O | 116.8° | 120.0° |
C | CA | H2 | 109.7° | 110.3° |
OXT | C | O | 125.1° | 120.0° |
C | O | H1 | 109.5° | 117.0° |
H3 | CB | H4 | 109.4° | 110.9° |
H5 | CG | H6 | 109.5° | 110.8° |
H8 | CAF | H9 | 109.5° | 113.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAH | CAF | CD | H8 | 116.3° | 113.5° |
CAH | CAF | CD | H9 | 116.3° | 113.4° |
CAF | CAH | OAB | N | 178.7° | 180.0° |
CAH | CAF | CD | CG | 96.9° | 112.2° |
CAH | CAF | CD | N | 1.9° | 2.9° |
CAF | CAH | N | CA | 161.7° | 108.3° |
CAH | CAF | CD | H7 | 116.3° | 114.6° |
CAH | CAF | H8 | H9 | 130.0° | 133.6° |
CD | CAF | CAH | OAB | 178.9° | 176.8° |
CAF | CD | CG | N | 87.6° | 98.8° |
CAF | CD | CG | H7 | 146.8° | 133.6° |
CAF | CD | CG | CB | 144.5° | 122.9° |
CAF | CD | N | H7 | 117.3° | 117.2° |
CAF | CD | N | CA | 172.7° | 117.2° |
CAF | CD | CG | H5 | 26.7° | 118.9° |
CAF | CD | CG | H6 | 97.6° | 4.5° |
CD | CAF | H8 | H9 | 130.0° | 133.5° |
OAB | CAH | N | CD | 178.8° | 176.7° |
OAB | CAH | N | CA | 17.4° | 71.7° |
OAB | CAH | CAF | H8 | 64.9° | 63.4° |
OAB | CAH | CAF | H9 | 62.6° | 69.8° |
CAH | N | CD | CG | 119.5° | 118.9° |
CAH | N | CD | CA | 174.7° | 120.4° |
CAH | N | CA | CB | 135.2° | 122.9° |
CAH | N | CA | C | 101.5° | 118.2° |
CAH | N | CA | H2 | 22.0° | 3.9° |
CAH | N | CD | H7 | 115.4° | 114.0° |
N | CAH | CAF | H8 | 114.2° | 116.6° |
N | CAH | CAF | H9 | 118.3° | 110.2° |
CD | CG | CB | H5 | 117.8° | 118.2° |
CD | CG | CB | H6 | 117.8° | 118.4° |
CG | CD | N | H7 | 125.1° | 127.1° |
CG | CD | N | CA | 55.1° | 1.5° |
CD | CG | CB | CA | 40.7° | 36.2° |
CD | CG | CB | H3 | 159.9° | 82.0° |
CD | CG | CB | H4 | 78.5° | 154.2° |
CD | CG | H5 | H6 | 126.0° | 123.4° |
CG | CD | CAF | H8 | 19.4° | 134.3° |
CG | CD | CAF | H9 | 146.9° | 1.2° |
CB | CG | CD | N | 57.0° | 24.1° |
CG | CB | CA | N | 8.9° | 36.2° |
CG | CB | CA | H3 | 119.2° | 118.1° |
CG | CB | CA | H4 | 119.2° | 118.1° |
CG | CB | CA | C | 133.0° | 155.1° |
CG | CB | CA | H2 | 105.0° | 82.8° |
CG | CB | H3 | H4 | 122.5° | 123.9° |
CB | CG | H5 | H6 | 126.1° | 123.4° |
CB | CG | CD | H7 | 68.7° | 103.5° |
CD | N | CA | CB | 28.0° | 22.0° |
CD | N | CA | C | 95.3° | 140.9° |
CD | N | CA | H2 | 141.2° | 97.0° |
N | CD | CG | H5 | 60.9° | 142.3° |
N | CD | CG | H6 | 174.8° | 94.3° |
N | CD | CAF | H8 | 114.4° | 116.4° |
N | CD | CAF | H9 | 118.1° | 110.5° |
N | CA | CB | C | 124.1° | 118.9° |
N | CA | CB | H2 | 113.9° | 118.9° |
N | CA | C | H2 | 123.0° | 122.1° |
N | CA | C | OXT | 0.8° | 1.5° |
N | CA | C | O | 177.7° | 178.6° |
N | CA | CB | H3 | 128.0° | 81.9° |
N | CA | CB | H4 | 110.3° | 154.3° |
CA | N | CD | H7 | 70.0° | 125.5° |
CB | CA | C | H2 | 120.9° | 122.2° |
CB | CA | C | OXT | 116.8° | 117.2° |
CB | CA | C | O | 66.3° | 62.9° |
CA | CB | H3 | H4 | 122.5° | 123.9° |
CA | CB | CG | H5 | 77.1° | 154.4° |
CA | CB | CG | H6 | 158.5° | 82.2° |
CA | C | OXT | O | 176.6° | 179.9° |
CA | C | O | H1 | 176.6° | 180.0° |
C | CA | CB | H3 | 107.8° | 37.0° |
C | CA | CB | H4 | 13.9° | 86.8° |
OXT | C | O | H1 | 0.0° | 0.1° |
OXT | C | CA | H2 | 122.3° | 120.7° |
O | C | CA | H2 | 54.6° | 59.3° |
H2 | CA | CB | H3 | 14.2° | 159.1° |
H2 | CA | CB | H4 | 135.8° | 35.3° |
H3 | CB | CG | H5 | 42.0° | 36.3° |
H3 | CB | CG | H6 | 82.3° | 159.6° |
H4 | CB | CG | H5 | 163.7° | 87.6° |
H4 | CB | CG | H6 | 39.3° | 35.8° |
H5 | CG | CD | H7 | 173.5° | 14.7° |
H6 | CG | CD | H7 | 49.1° | 138.1° |
H7 | CD | CAF | H8 | 127.5° | 1.1° |
H7 | CD | CAF | H9 | 0.0° | 132.0° |