BC8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.24Å | |
OE1 | CD | doub | 1.21Å | 1.26Å | |
CD | CG | sing | 1.51Å | 1.56Å | |
CD | OE2 | sing | 1.34Å | 1.25Å | |
OXT | C | sing | 1.34Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.53Å | |
CG | CB | sing | 1.53Å | 1.53Å | |
CB | CA | sing | 1.53Å | 1.55Å | |
CA | N | sing | 1.46Å | 1.49Å | |
N | CAJ | sing | 1.35Å | 1.35Å | |
OAK | CAJ | doub | 1.21Å | 1.25Å | |
CAJ | CAD | sing | 1.51Å | 1.55Å | |
CAE | CAD | sing | 1.53Å | 1.54Å | |
CAE | CAF | sing | 1.51Å | 1.55Å | |
OAV | CAF | doub | 1.21Å | 1.25Å | |
CAD | OAI | sing | 1.43Å | 1.42Å | |
CAD | CAC | sing | 1.53Å | 1.55Å | |
CAF | OAL | sing | 1.34Å | 1.27Å | |
OAH | CAB | doub | 1.21Å | 1.25Å | |
CAC | CAB | sing | 1.51Å | 1.52Å | |
CAB | OAA | sing | 1.34Å | 1.24Å | |
OAA | H1 | sing | 0.97Å | 0.95Å | |
CAC | H2 | sing | 1.09Å | 1.10Å | |
CAC | H3 | sing | 1.09Å | 1.10Å | |
CAE | H4 | sing | 1.09Å | 1.10Å | |
CAE | H5 | sing | 1.09Å | 1.10Å | |
OAL | H6 | sing | 0.97Å | 0.95Å | |
OAI | H7 | sing | 0.97Å | 0.95Å | |
N | H8 | sing | 0.97Å | 1.00Å | |
CA | H9 | sing | 1.09Å | 1.10Å | |
OXT | H10 | sing | 0.97Å | 0.95Å | |
CB | H11 | sing | 1.09Å | 1.10Å | |
CB | H12 | sing | 1.09Å | 1.10Å | |
CG | H13 | sing | 1.09Å | 1.10Å | |
CG | H14 | sing | 1.09Å | 1.10Å | |
OE2 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | OXT | 125.1° | 120.0° |
O | C | CA | 117.8° | 120.0° |
OE1 | CD | CG | 119.6° | 120.0° |
OE1 | CD | OE2 | 123.5° | 120.0° |
CG | CD | OE2 | 116.6° | 120.0° |
CD | CG | CB | 109.2° | 109.5° |
CD | CG | H13 | 109.5° | 109.5° |
CD | CG | H14 | 109.5° | 109.5° |
CD | OE2 | H15 | 109.5° | 117.0° |
OXT | C | CA | 117.1° | 120.0° |
C | OXT | H10 | 109.5° | 117.0° |
C | CA | CB | 108.0° | 109.5° |
C | CA | N | 106.6° | 109.5° |
C | CA | H9 | 109.7° | 109.4° |
CG | CB | CA | 110.4° | 109.5° |
CG | CB | H11 | 109.2° | 109.5° |
CG | CB | H12 | 109.2° | 109.5° |
CB | CG | H13 | 109.5° | 109.5° |
CB | CG | H14 | 109.5° | 109.4° |
CB | CA | N | 112.7° | 109.5° |
CB | CA | H9 | 109.4° | 109.4° |
CA | CB | H11 | 109.2° | 109.5° |
CA | CB | H12 | 109.2° | 109.5° |
CA | N | CAJ | 125.1° | 120.0° |
CA | N | H8 | 117.4° | 120.0° |
N | CA | H9 | 110.4° | 109.5° |
N | CAJ | OAK | 123.3° | 120.0° |
N | CAJ | CAD | 110.6° | 120.0° |
CAJ | N | H8 | 117.5° | 120.0° |
OAK | CAJ | CAD | 126.1° | 120.0° |
CAJ | CAD | CAE | 105.5° | 109.5° |
CAJ | CAD | OAI | 106.2° | 109.5° |
CAJ | CAD | CAC | 118.9° | 109.5° |
CAD | CAE | CAF | 112.4° | 109.4° |
CAE | CAD | OAI | 106.3° | 109.5° |
CAE | CAD | CAC | 112.0° | 109.5° |
CAD | CAE | H4 | 108.7° | 109.5° |
CAD | CAE | H5 | 108.7° | 109.5° |
CAE | CAF | OAV | 114.4° | 120.0° |
CAE | CAF | OAL | 119.4° | 120.0° |
CAF | CAE | H4 | 108.7° | 109.5° |
CAF | CAE | H5 | 108.7° | 109.5° |
OAV | CAF | OAL | 126.2° | 120.0° |
OAI | CAD | CAC | 107.2° | 109.5° |
CAD | OAI | H7 | 109.5° | 114.0° |
CAD | CAC | CAB | 124.6° | 109.5° |
CAD | CAC | H2 | 105.6° | 109.4° |
CAD | CAC | H3 | 105.6° | 109.5° |
CAF | OAL | H6 | 109.5° | 117.0° |
OAH | CAB | CAC | 117.0° | 120.0° |
OAH | CAB | OAA | 126.0° | 120.0° |
CAC | CAB | OAA | 116.9° | 120.0° |
CAB | CAC | H2 | 105.5° | 109.4° |
CAB | CAC | H3 | 105.5° | 109.5° |
CAB | OAA | H1 | 109.5° | 117.0° |
H2 | CAC | H3 | 109.5° | 109.5° |
H4 | CAE | H5 | 109.5° | 109.5° |
H11 | CB | H12 | 109.5° | 109.5° |
H13 | CG | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | OXT | CA | 178.9° | 180.0° |
O | C | CA | CB | 93.2° | 120.0° |
O | C | CA | N | 145.4° | 0.0° |
O | C | CA | H9 | 25.9° | 120.0° |
O | C | OXT | H10 | 0.0° | 0.0° |
OE1 | CD | CG | OE2 | 174.1° | 180.0° |
OE1 | CD | CG | CB | 73.2° | 0.1° |
OE1 | CD | CG | H13 | 46.8° | 120.0° |
OE1 | CD | CG | H14 | 166.9° | 120.0° |
OE1 | CD | OE2 | H15 | 0.0° | 0.1° |
CD | CG | CB | H13 | 120.0° | 120.0° |
CD | CG | CB | H14 | 119.9° | 119.9° |
CD | CG | CB | CA | 172.6° | 180.0° |
CD | CG | CB | H11 | 67.2° | 60.0° |
CD | CG | CB | H12 | 52.5° | 60.0° |
CD | CG | H13 | H14 | 120.1° | 120.0° |
CG | CD | OE2 | H15 | 173.8° | 179.9° |
OE2 | CD | CG | CB | 112.7° | 180.0° |
OE2 | CD | CG | H13 | 127.3° | 60.0° |
OE2 | CD | CG | H14 | 7.2° | 60.1° |
OXT | C | CA | CB | 87.8° | 60.0° |
OXT | C | CA | N | 33.5° | 180.0° |
OXT | C | CA | H9 | 153.0° | 60.0° |
C | CA | CB | CG | 24.5° | 174.9° |
C | CA | CB | N | 117.5° | 120.1° |
C | CA | CB | H9 | 119.3° | 119.9° |
C | CA | N | H9 | 119.1° | 120.0° |
C | CA | N | CAJ | 71.5° | 85.0° |
C | CA | N | H8 | 108.5° | 95.0° |
CA | C | OXT | H10 | 178.9° | 180.0° |
C | CA | CB | H11 | 144.6° | 65.1° |
C | CA | CB | H12 | 95.7° | 54.9° |
CG | CB | CA | H11 | 120.1° | 120.0° |
CG | CB | CA | H12 | 120.1° | 120.0° |
CG | CB | CA | N | 93.0° | 65.0° |
CG | CB | CA | H9 | 143.8° | 55.0° |
CG | CB | H11 | H12 | 119.5° | 120.0° |
CB | CG | H13 | H14 | 120.1° | 119.9° |
CB | CA | N | H9 | 122.7° | 120.0° |
CB | CA | N | CAJ | 170.3° | 155.0° |
CB | CA | N | H8 | 9.7° | 25.0° |
CA | CB | H11 | H12 | 119.6° | 120.0° |
CA | CB | CG | H13 | 52.7° | 60.0° |
CA | CB | CG | H14 | 67.4° | 60.0° |
CA | N | CAJ | H8 | 180.0° | 180.0° |
CA | N | CAJ | OAK | 4.9° | 4.9° |
CA | N | CAJ | CAD | 174.6° | 175.0° |
N | CA | CB | H11 | 27.1° | 55.0° |
N | CA | CB | H12 | 146.9° | 175.0° |
N | CAJ | OAK | CAD | 179.5° | 179.9° |
N | CAJ | CAD | CAE | 75.1° | 81.4° |
N | CAJ | CAD | OAI | 37.5° | 38.6° |
N | CAJ | CAD | CAC | 158.3° | 158.7° |
CAJ | N | CA | H9 | 47.6° | 35.0° |
OAK | CAJ | CAD | CAE | 104.5° | 98.6° |
OAK | CAJ | CAD | OAI | 142.9° | 141.4° |
OAK | CAJ | CAD | CAC | 22.1° | 21.4° |
OAK | CAJ | N | H8 | 175.0° | 175.0° |
CAJ | CAD | CAE | OAI | 112.5° | 120.0° |
CAJ | CAD | CAE | CAC | 130.8° | 120.0° |
CAJ | CAD | CAE | CAF | 168.8° | 57.3° |
CAJ | CAD | OAI | CAC | 128.1° | 120.0° |
CAJ | CAD | CAC | CAB | 13.8° | 176.3° |
CAJ | CAD | CAC | H2 | 108.3° | 56.3° |
CAJ | CAD | CAC | H3 | 135.8° | 63.6° |
CAJ | CAD | CAE | H4 | 70.8° | 177.2° |
CAJ | CAD | CAE | H5 | 48.3° | 62.7° |
CAJ | CAD | OAI | H7 | 180.0° | 60.0° |
CAD | CAJ | N | H8 | 5.4° | 5.0° |
CAD | CAE | CAF | H4 | 120.4° | 120.0° |
CAD | CAE | CAF | H5 | 120.4° | 120.0° |
CAD | CAE | CAF | OAV | 136.2° | 1.8° |
CAE | CAD | OAI | CAC | 119.9° | 120.0° |
CAD | CAE | CAF | OAL | 42.1° | 178.2° |
CAE | CAD | CAC | CAB | 137.3° | 63.7° |
CAE | CAD | CAC | H2 | 15.2° | 176.3° |
CAE | CAD | CAC | H3 | 100.7° | 56.3° |
CAD | CAE | H4 | H5 | 118.6° | 120.0° |
CAE | CAD | OAI | H7 | 68.0° | 180.0° |
CAE | CAF | OAV | OAL | 178.1° | 179.9° |
CAF | CAE | CAD | OAI | 56.3° | 177.3° |
CAF | CAE | CAD | CAC | 60.5° | 62.7° |
CAF | CAE | H4 | H5 | 118.7° | 120.0° |
CAE | CAF | OAL | H6 | 178.1° | 180.0° |
OAV | CAF | CAE | H4 | 15.8° | 118.2° |
OAV | CAF | CAE | H5 | 103.4° | 121.8° |
OAV | CAF | OAL | H6 | 0.0° | 0.0° |
OAI | CAD | CAC | CAB | 106.5° | 56.3° |
OAI | CAD | CAC | H2 | 131.5° | 63.7° |
OAI | CAD | CAC | H3 | 15.5° | 176.3° |
OAI | CAD | CAE | H4 | 176.7° | 62.7° |
OAI | CAD | CAE | H5 | 64.2° | 57.3° |
CAD | CAC | CAB | OAH | 114.7° | 6.2° |
CAD | CAC | CAB | H2 | 122.1° | 119.9° |
CAD | CAC | CAB | H3 | 122.1° | 120.0° |
CAD | CAC | CAB | OAA | 69.1° | 173.7° |
CAD | CAC | H2 | H3 | 113.2° | 120.0° |
CAC | CAD | CAE | H4 | 60.0° | 57.3° |
CAC | CAD | CAE | H5 | 179.1° | 177.3° |
CAC | CAD | OAI | H7 | 51.9° | 60.1° |
OAL | CAF | CAE | H4 | 162.5° | 61.8° |
OAL | CAF | CAE | H5 | 78.4° | 58.2° |
OAH | CAB | CAC | OAA | 176.1° | 179.9° |
OAH | CAB | OAA | H1 | 0.0° | 0.1° |
OAH | CAB | CAC | H2 | 7.3° | 113.7° |
OAH | CAB | CAC | H3 | 123.2° | 126.3° |
CAC | CAB | OAA | H1 | 175.7° | 180.0° |
CAB | CAC | H2 | H3 | 113.2° | 120.1° |
OAA | CAB | CAC | H2 | 168.8° | 66.4° |
OAA | CAB | CAC | H3 | 52.9° | 53.7° |
H8 | N | CA | H9 | 132.4° | 145.0° |
H9 | CA | CB | H11 | 96.1° | 175.0° |
H9 | CA | CB | H12 | 23.7° | 65.0° |
H11 | CB | CG | H13 | 172.8° | 180.0° |
H11 | CB | CG | H14 | 52.7° | 60.0° |
H12 | CB | CG | H13 | 67.5° | 60.0° |
H12 | CB | CG | H14 | 172.4° | 180.0° |