Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVRRPTMSFAFWSRLKALVRKETKQLLRDKGSLGIGLVLPVILILLFGYGLSFDLNQARVGVVVDQSSPQVNQVLAGLNGSRYLTSLEFRNLPEAEQAIRNGKIDAILHLPSDFANQVQQGNAKVQLLLNGRSTTIATALEGYVAGALATAPSIQIDRSPILASASAVKIEQRIWFNESGNSTWFLVPGLMILILTLIGAFLTGLLIARERERGTLEALFVTPVRP-FEIVLAKLIPYV-VVGMIDIVICIVAAHFIFEVPM-RGSLFSILFASFLYLIVSLLLGLTISGFAQSQFQASQIALLASFMPALMLSGFVFDTRNLPLVVQIISQLLPATHFMVLIKTLFMGGDDWK--------------------------------LWFKECGILLGYIVVLICAVNFSLKKRLR 5NJ3 Chain:A ((447-661)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLM-TICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLK-

General information: TITO was launched using: RESULT: Template: 5NJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 575 -120293 -209.21 -668.29 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -209.21 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.239

(partial model without unconserved sides chains): PDB file : Tito_5NJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NJ3-query.scw PDB file : Tito_Scwrl_5NJ3.pdb: