Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVRRPTMSFAFWSRLKALVRKETKQLLRDKGSLGIGLVLPVILILLFGYGLSFDLNQARVGVVVDQSSPQVNQVLAGLNGSRYLTSLEFRNLPEAEQAIRNGKIDAILHLPSDFANQVQQGNAKVQLLLNGRSTTIATALEGYVAGALATAPSIQIDRSPILASASAVKIEQRIWFNESGNSTWFLVPGLMILILTLIGAFLTGLLIARERERGTLEALFVTPVRPFEIVLAKLIPYVVVGMIDIVICIVAAHFIFEVPMRGSLFSILFASFLYLIVSLLLGLTISGFAQSQFQASQIALLASFMPALMLSGFVFDTRNLPLVVQIISQLLPATHFMVLIKTLFMGGDDWKLWFKECGILLGYIVVLICAVNFSLKKRLR 5KHS Chain:B ((715-806)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TIISAFLHAALWSII----SITILLWITLRRFGDVLRTLVPLLVSGIVTLEMCVVLG------------MSLNFANIIALPLMLGVGVAFKVYFVMAWRAGQTGLLHS-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KHS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 172 -39653 -230.54 -431.01 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.52 3D Compatibility (PKB) : -230.54 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_5KHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KHS-query.scw PDB file : Tito_Scwrl_5KHS.pdb: