Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDYKTFDPDLWAAIAKEEERQEHNLELIASENFVSEAVMAAQGSILTNKYAEGYPGHRYYGGCEFVDIVENLAIDRAKELFG----AKFANVQPHSGSQANTAAYLALVEPGDTILGMDLSAGGHLTHG-----SPVNFSGKTYHFVAYGVDPTTEVIDYNVVRILARKHQPKLIVAGASAYGRTIDFAKFREIADEVGAKLMVDMAHIAGLVAAGLHPNPVPYADITTTTTHKTLRGPRGGM----------ILTNDEALAKKINSAVFPGIQGGPLEHVIAGKAVAFKEALDPAFKEYSEQIIANAKAMVKVFNQAIGTRVISGATDNHLMLIDVRELGINGKEAESILDSVNITVNKNSIPFETLSPFKTSGIRIGTPAITTRGFKEEDAVKVAELVVKAL----QAKDDNAQLDEVKTGVRELTEKFPLHKK 1RV3 Chain:A ((26-451)) ----KDSDAEVYDIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSLGYPGQRYYGGTEHIDELETLCQKRALQAYGLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMAYKVNPDTGYIDYDRLEENARLFHPKLIIAGTSCYSRNLDYGRLRKIADENGAYLMADMAHISGLVVAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRRGVRSEILYNLESL---INSAVFPGLQGGPHNHAIAGVAVALKQAMTPEFKEYQRQVVANCRALSAALVE-LGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDK-SALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTVQIQDDTGP----RATLKEFKEKL-----

General information: TITO was launched using: RESULT: Template: 1RV3.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 : 2271 -38596 -16.99 -97.46 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -16.99 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_1RV3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RV3-query.scw PDB file : Tito_Scwrl_1RV3.pdb: