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Input Site Sphere
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-17.0041, 6.71975, -15.0922, 9.73833
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Docking Preferences
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High Quality
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Max Hits to Save
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100
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Max Number of Hits
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100
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Minimum LibDockScore
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100
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Final Score Cutoff
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0.5
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Max BFGS Steps
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50
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Rigid Optimization
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False
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Keep Hydrogens
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False
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Max Conformation Hits
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30
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Max Start Conformations
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1000
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Steric Fraction
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0.10
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Final Cluster Radius
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0.5
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Apolar SASA Cutoff
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15.0
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Polar SASA Cutoff
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5.0
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Surface Grid Steps
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18
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Maximum Conformations
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255
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Discard Existing Conformations
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True
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Energy Threshold
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20.0
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DSReport Summary
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False
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Separate Conformations
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True
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Minimization Algorithm
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Smart Minimizer
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RMSD Cutoff
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1.0
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Flexible Residues
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Minimization Max Steps
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1000
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Minimization RMS Gradient
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0.001
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Minimization Energy Change
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0.0
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Minimization Forcefield
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CHARMm
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Minimization Sphere of Flexible Atoms
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Implicit Solvent Model
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Distance-Dependent Dielectrics
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Dielectric Constant
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1
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Implicit Solvent Dielectric Constant
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80
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Generalized Born Lambda Constant
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Minimum Hydrogen Radius
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0.8
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Use Non-polar Surface Area
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True
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Non-polar Surface Constant
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0.92
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Non-polar Surface Coefficient
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0.00542
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Salt Concentration
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0.0
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Input Atomic Radii
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van der Waals radii
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Use Molecular Surface
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True
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Nonbond List Radius
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13.0
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Nonbond Higher Cutoff Distance
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12.0
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Nonbond Lower Cutoff Distance
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9.0
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Verbose
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0
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sp2-sp2 rotation
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True
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Grid Scoring
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True
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Hotspots File
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Parallel Processing
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False
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Batch Size
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25
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Server
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localhost
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Server Processes
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2
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Preserve Order
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True
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Information