LQZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.18Å | |
C | CA | sing | 1.51Å | 1.54Å | |
C | NAL | sing | 1.35Å | 1.47Å | |
N | CA | sing | 1.47Å | 1.49Å | |
N | CAI | sing | 1.47Å | 1.48Å | |
N | CAJ | sing | 1.47Å | 1.49Å | |
CAA | CAI | sing | 1.53Å | 1.54Å | |
CAB | CAJ | sing | 1.53Å | 1.55Å | |
CAC | CAN | sing | 1.51Å | 1.54Å | |
CAD | CAO | sing | 1.51Å | 1.53Å | |
CAF | CAG | doub | 1.38Å | 1.57Å | Aromatic |
CAF | CAH | sing | 1.38Å | 1.57Å | Aromatic |
CAG | CAN | sing | 1.38Å | 1.56Å | Aromatic |
CAH | CAO | doub | 1.38Å | 1.54Å | Aromatic |
NAL | CAP | sing | 1.40Å | 1.48Å | |
CAN | CAP | doub | 1.39Å | 1.56Å | Aromatic |
CAO | CAP | sing | 1.39Å | 1.60Å | Aromatic |
CA | HA | sing | 1.09Å | 1.10Å | |
CA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAA | HAAC | sing | 1.09Å | 1.10Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
CAC | HACA | sing | 1.09Å | 1.10Å | |
CAC | HACB | sing | 1.09Å | 1.10Å | |
CAD | HAD | sing | 1.09Å | 1.10Å | |
CAD | HADA | sing | 1.09Å | 1.10Å | |
CAD | HADB | sing | 1.09Å | 1.10Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.09Å | 1.10Å | |
CAI | HAIA | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAJ | HAJA | sing | 1.09Å | 1.10Å | |
NAL | HNAL | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 118.0° | 120.0° |
O | C | NAL | 119.5° | 120.0° |
CA | C | NAL | 122.3° | 120.0° |
C | CA | N | 115.1° | 109.5° |
C | CA | HA | 107.6° | 109.5° |
C | CA | HAA | 107.6° | 109.4° |
C | NAL | CAP | 121.9° | 120.0° |
C | NAL | HNAL | 119.0° | 120.0° |
CA | N | CAI | 112.8° | 111.0° |
CA | N | CAJ | 114.6° | 111.0° |
N | CA | HA | 107.6° | 109.5° |
N | CA | HAA | 107.6° | 109.5° |
CAI | N | CAJ | 114.0° | 111.0° |
N | CAI | CAA | 113.0° | 109.4° |
N | CAI | HAI | 108.3° | 109.5° |
N | CAI | HAIA | 108.3° | 109.5° |
N | CAJ | CAB | 114.7° | 109.5° |
N | CAJ | HAJ | 107.8° | 109.5° |
N | CAJ | HAJA | 107.8° | 109.5° |
CAI | CAA | HAAA | 109.5° | 109.5° |
CAI | CAA | HAAB | 109.5° | 109.5° |
CAI | CAA | HAAC | 109.5° | 109.4° |
CAA | CAI | HAI | 108.3° | 109.4° |
CAA | CAI | HAIA | 108.3° | 109.5° |
CAJ | CAB | HAB | 109.5° | 109.5° |
CAJ | CAB | HABA | 109.5° | 109.5° |
CAJ | CAB | HABB | 109.5° | 109.5° |
CAB | CAJ | HAJ | 107.8° | 109.5° |
CAB | CAJ | HAJA | 107.8° | 109.5° |
CAC | CAN | CAG | 117.0° | 120.0° |
CAC | CAN | CAP | 123.1° | 120.0° |
CAN | CAC | HAC | 109.5° | 109.5° |
CAN | CAC | HACA | 109.5° | 109.5° |
CAN | CAC | HACB | 109.5° | 109.5° |
CAD | CAO | CAH | 118.3° | 120.0° |
CAD | CAO | CAP | 120.8° | 120.0° |
CAO | CAD | HAD | 109.5° | 109.5° |
CAO | CAD | HADA | 109.5° | 109.5° |
CAO | CAD | HADB | 109.5° | 109.5° |
CAG | CAF | CAH | 120.0° | 120.1° |
CAF | CAG | CAN | 120.7° | 120.0° |
CAG | CAF | HAF | 120.0° | 119.9° |
CAF | CAG | HAG | 119.6° | 119.9° |
CAF | CAH | CAO | 119.4° | 120.0° |
CAH | CAF | HAF | 120.0° | 119.9° |
CAF | CAH | HAH | 120.3° | 119.9° |
CAG | CAN | CAP | 119.9° | 120.0° |
CAN | CAG | HAG | 119.7° | 120.0° |
CAH | CAO | CAP | 120.9° | 120.0° |
CAO | CAH | HAH | 120.3° | 120.0° |
NAL | CAP | CAN | 122.2° | 120.1° |
NAL | CAP | CAO | 118.7° | 120.1° |
CAP | NAL | HNAL | 119.1° | 120.0° |
CAN | CAP | CAO | 119.1° | 119.8° |
HA | CA | HAA | 111.2° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
HAAA | CAA | HAAC | 109.5° | 109.5° |
HAAB | CAA | HAAC | 109.5° | 109.5° |
HAB | CAB | HABA | 109.5° | 109.5° |
HAB | CAB | HABB | 109.5° | 109.4° |
HABA | CAB | HABB | 109.5° | 109.5° |
HAC | CAC | HACA | 109.5° | 109.4° |
HAC | CAC | HACB | 109.5° | 109.5° |
HACA | CAC | HACB | 109.5° | 109.5° |
HAD | CAD | HADA | 109.5° | 109.4° |
HAD | CAD | HADB | 109.5° | 109.4° |
HADA | CAD | HADB | 109.5° | 109.4° |
HAI | CAI | HAIA | 110.7° | 109.5° |
HAJ | CAJ | HAJA | 111.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | NAL | 174.8° | 179.7° |
O | C | CA | N | 1.9° | 0.0° |
O | C | NAL | CAP | 3.6° | 5.5° |
O | C | CA | HA | 121.9° | 120.0° |
O | C | CA | HAA | 118.1° | 120.0° |
O | C | NAL | HNAL | 176.4° | 174.5° |
C | CA | N | HA | 120.0° | 120.0° |
C | CA | N | HAA | 120.0° | 119.9° |
C | CA | N | CAI | 66.4° | 66.1° |
C | CA | N | CAJ | 161.0° | 170.0° |
CA | C | NAL | CAP | 178.3° | 174.2° |
C | CA | HA | HAA | 117.7° | 119.9° |
CA | C | NAL | HNAL | 1.7° | 5.8° |
NAL | C | CA | N | 176.7° | 179.7° |
C | NAL | CAP | HNAL | 180.0° | 180.0° |
C | NAL | CAP | CAN | 43.0° | 54.1° |
C | NAL | CAP | CAO | 137.3° | 125.9° |
NAL | C | CA | HA | 63.3° | 59.6° |
NAL | C | CA | HAA | 56.7° | 60.3° |
CA | N | CAI | CAJ | 132.9° | 123.9° |
CA | N | CAI | CAA | 123.1° | 164.3° |
CA | N | CAJ | CAB | 27.7° | 75.8° |
N | CA | HA | HAA | 117.7° | 120.1° |
CA | N | CAI | HAI | 3.2° | 44.4° |
CA | N | CAI | HAIA | 116.9° | 75.7° |
CA | N | CAJ | HAJ | 147.8° | 164.2° |
CA | N | CAJ | HAJA | 92.3° | 44.2° |
N | CAI | CAA | HAI | 120.0° | 119.9° |
N | CAI | CAA | HAIA | 120.0° | 120.0° |
CAI | N | CAJ | CAB | 104.3° | 160.3° |
CAI | N | CA | HA | 173.5° | 53.9° |
CAI | N | CA | HAA | 53.6° | 174.0° |
N | CAI | CAA | HAAA | 180.0° | 54.0° |
N | CAI | CAA | HAAB | 60.0° | 174.0° |
N | CAI | CAA | HAAC | 60.0° | 66.0° |
N | CAI | HAI | HAIA | 118.6° | 120.1° |
CAI | N | CAJ | HAJ | 15.7° | 40.3° |
CAI | N | CAJ | HAJA | 135.7° | 79.7° |
CAJ | N | CAI | CAA | 9.8° | 71.8° |
N | CAJ | CAB | HAJ | 120.0° | 120.0° |
N | CAJ | CAB | HAJA | 120.0° | 120.0° |
CAJ | N | CA | HA | 41.0° | 70.0° |
CAJ | N | CA | HAA | 79.0° | 50.0° |
N | CAJ | CAB | HAB | 180.0° | 55.7° |
N | CAJ | CAB | HABA | 60.0° | 64.3° |
N | CAJ | CAB | HABB | 60.0° | 175.7° |
CAJ | N | CAI | HAI | 129.7° | 168.3° |
CAJ | N | CAI | HAIA | 110.2° | 48.2° |
N | CAJ | HAJ | HAJA | 117.8° | 120.0° |
CAI | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAI | CAA | HAAA | HAAC | 120.0° | 120.0° |
CAI | CAA | HAAB | HAAC | 120.0° | 120.0° |
CAA | CAI | HAI | HAIA | 118.5° | 120.0° |
CAJ | CAB | HAB | HABA | 120.0° | 120.0° |
CAJ | CAB | HAB | HABB | 120.0° | 120.0° |
CAJ | CAB | HABA | HABB | 120.0° | 120.0° |
CAB | CAJ | HAJ | HAJA | 117.9° | 120.0° |
CAC | CAN | CAG | CAF | 179.5° | 180.0° |
CAC | CAN | CAG | CAP | 179.7° | 180.0° |
CAC | CAN | CAP | NAL | 0.3° | 0.0° |
CAC | CAN | CAP | CAO | 179.5° | 180.0° |
CAN | CAC | HAC | HACA | 120.0° | 120.0° |
CAN | CAC | HAC | HACB | 120.0° | 120.0° |
CAN | CAC | HACA | HACB | 120.0° | 120.0° |
CAC | CAN | CAG | HAG | 0.5° | 0.0° |
CAD | CAO | CAH | CAF | 179.8° | 180.0° |
CAD | CAO | CAH | CAP | 179.8° | 180.0° |
CAD | CAO | CAP | NAL | 0.3° | 0.0° |
CAD | CAO | CAP | CAN | 179.9° | 180.0° |
CAO | CAD | HAD | HADA | 120.0° | 120.0° |
CAO | CAD | HAD | HADB | 120.0° | 120.0° |
CAO | CAD | HADA | HADB | 120.0° | 120.0° |
CAD | CAO | CAH | HAH | 0.2° | 0.0° |
CAG | CAF | CAH | HAF | 180.0° | 179.7° |
CAF | CAG | CAN | HAG | 180.0° | 180.0° |
CAG | CAF | CAH | CAO | 0.1° | 0.1° |
CAF | CAG | CAN | CAP | 0.3° | 0.0° |
CAG | CAF | CAH | HAH | 180.0° | 180.0° |
CAH | CAF | CAG | CAN | 0.1° | 0.1° |
CAF | CAH | CAO | HAH | 180.0° | 179.9° |
CAF | CAH | CAO | CAP | 0.1° | 0.0° |
CAH | CAF | CAG | HAG | 179.9° | 180.0° |
CAG | CAN | CAP | NAL | 180.0° | 180.0° |
CAG | CAN | CAP | CAO | 0.3° | 0.0° |
CAG | CAN | CAC | HAC | 90.1° | 84.4° |
CAG | CAN | CAC | HACA | 149.9° | 155.6° |
CAG | CAN | CAC | HACB | 29.9° | 35.6° |
CAN | CAG | CAF | HAF | 179.9° | 179.8° |
CAH | CAO | CAP | NAL | 179.9° | 180.0° |
CAH | CAO | CAP | CAN | 0.1° | 0.0° |
CAH | CAO | CAD | HAD | 90.1° | 95.3° |
CAH | CAO | CAD | HADA | 149.9° | 144.7° |
CAH | CAO | CAD | HADB | 29.9° | 24.7° |
CAO | CAH | CAF | HAF | 180.0° | 179.8° |
NAL | CAP | CAN | CAO | 179.8° | 180.0° |
CAP | CAN | CAC | HAC | 90.1° | 95.6° |
CAP | CAN | CAC | HACA | 29.9° | 24.4° |
CAP | CAN | CAC | HACB | 149.9° | 144.4° |
CAP | CAN | CAG | HAG | 179.7° | 180.0° |
CAN | CAP | NAL | HNAL | 137.0° | 125.9° |
CAP | CAO | CAD | HAD | 90.1° | 84.7° |
CAP | CAO | CAD | HADA | 29.9° | 35.3° |
CAP | CAO | CAD | HADB | 149.9° | 155.3° |
CAP | CAO | CAH | HAH | 179.9° | 180.0° |
CAO | CAP | NAL | HNAL | 42.7° | 54.1° |
HAAA | CAA | HAAB | HAAC | 120.0° | 120.0° |
HAAA | CAA | CAI | HAI | 60.0° | 65.9° |
HAAA | CAA | CAI | HAIA | 60.0° | 174.0° |
HAAB | CAA | CAI | HAI | 180.0° | 54.1° |
HAAB | CAA | CAI | HAIA | 60.0° | 66.0° |
HAAC | CAA | CAI | HAI | 60.0° | 174.1° |
HAAC | CAA | CAI | HAIA | 180.0° | 54.1° |
HAB | CAB | HABA | HABB | 120.0° | 120.0° |
HAB | CAB | CAJ | HAJ | 60.0° | 175.8° |
HAB | CAB | CAJ | HAJA | 60.0° | 64.2° |
HABA | CAB | CAJ | HAJ | 180.0° | 55.8° |
HABA | CAB | CAJ | HAJA | 60.0° | 175.8° |
HABB | CAB | CAJ | HAJ | 60.0° | 64.3° |
HABB | CAB | CAJ | HAJA | 180.0° | 55.7° |
HAC | CAC | HACA | HACB | 120.0° | 120.0° |
HAD | CAD | HADA | HADB | 120.0° | 119.9° |
HAF | CAF | CAG | HAG | 0.1° | 0.2° |
HAF | CAF | CAH | HAH | 0.0° | 0.3° |