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

General information: TITO was launched using: RESULT: Template: 5KHN.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 : 168 -40864 -243.24 -444.17 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.52 3D Compatibility (PKB) : -243.24 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_5KHN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KHN-query.scw PDB file : Tito_Scwrl_5KHN.pdb: