Protein sequence
Chain A:
SSAHPETEPKWWKEATFXQIXPASFKDSNDDGWGDMKGIASKLEXIKELGADAIWISPFXDSPQDDMGXDIANXEKVWPTXGTNEDCFALIEKTHKLGMKFITDLVINHCSSEHEWFKESRSSKTNPKRDWFFWRPPKGXDAEGKPIPPNNWKSXFGGSAWTFDEKTQEFXLRLFCSTQPDLNWENEDCRKAIXESAVGXWLDHGVDGFRIDVGSLXSKVVGLPDAPVVDKNSTWQSSDPXTLNGPRIHEFHQEMNQFIRNRVKDGREIMTVGEMQHASDETKRLXTSASRHELSELFNFSHTDVGTSPLFRXNLVPFELKDWKIALAELFRXINGTDCWSTIXLENHDQPRSITRFGDDSPKNRVISGKLLSVLLSALTGTLXVXQGQELGQINFKNWPVEKXEDVEIRNNXNAIKEEHGENSEEMKKFLEAIALISRDHARTPMQWSREEPNAGFSGPSAKPWFXLNDSFREGINVEDEIKDPNSVLNFWKEALKFRKAHKDITVXGXDFEFIDLDNKKLFSFTKKXNNKTLFAALNFSSDATDFKIPNDDSSFKLEFGNXPKKEVDASSRTLKPWEGRIXISE

Docking Ligand Ranking
De NovoRankLigand NameSCORESCORE
RB_PEN
SCORE
NORM_HEVATOMS
SCORE
NORM_CRT_HEVATOMS
SCORE
NORM_WEIGHT
SCORE
NORM_CRT_WEIGHT
SCORE
RB_PEN_NORM_CRT_HEVATOMS
SCORE
NORM_CONTACT
  Con.ZINC855370422134.262178.2648.5059604.5463.30583246.94617.01inf
125561430143247.6667460.2173.44906191.775460.86inf
225561430143247.6667460.2173.44906191.775460.86inf
377801430143047.6667460.2173.44906191.775460.217inf
477801430143047.6667460.2173.44906191.775460.217inf
570381530.151542.1547.8172481.9673.44171200.484485.747inf
625591980.061994.0648.2941574.2263.43315237.875578.286inf
727902185.662193.6648.5703614.4873.60258258.183616.736inf
825582532.282558.2848.6978678.443.42717280.104685.406inf
991103030.373064.3748.877765.6533.42405315.629774.243inf
1015623032.13066.148.9048766.0893.426315.809774.68inf
1135623034.283068.2848.9399766.6393.42846316.036775.23inf
1270783680.683732.6849.0758872.7863.41066358.838885.117inf

Number of generations (max=50):
Population size per generation(max=40):
Property name Minimal value Maximal value Weight in final score
Molecular weight
XLogp
Number of atoms (H excluded)
Number of h-donors
Number of h-acceptors
Polar solvent accessible surface area
Volume
Area
Molecular Refractivity
Radius of gyration
Length
Moment of inertia Ixx
Moment of inertia Iyy
Number of rotatable bonds
Number of rings
Number of aromatic rings
Lipinski rules
(+ maximal number of atoms)
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