Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTWRKSYERWKQTEHLDLELKERLIELEGDEQALEDCFYKDLEFGTGGMRGEIGAGTNRMNIYTVRKASAGFAAYISKQGEEAKKRGVVIAYDSRHKSPEFAMEAAKTLATQGIQTYVFDELRPTPELSFAVRQLNAYGGIVVTASHNPPEYNGYKVYGDDGGQLPPKEADIVIEQVNAIENELTITVDEENKLKEKGLIKIIGEDIDKVYTEKLTSISVHPELSEEVDVKVVFTPLHGTANKPVRRGLEALGYKNVTVVKEQELPDSNFSTVTSPNPEEHAAFEYAIKLGEEQNADILIATDPDADRLGIAVKNDQGKYTVLTGNQTGALLLHYLLSEKKKQGILPDNGVVLKTIVTSEIGRAVASSFGLDTIDTLTGFKFIGEKIKEYEASGQYTFQFGYEESYGYLIGDF-ARDKDAIQAALLAVEVCAFYKKQGMSLYEALINLFNEYGFYREGLKSLTLKGKQGAEQIEAILASFRQNPPQKMAGKQVVTAEDYAVSKRTLLTESKEEAIDLPKSNVLKYFLEDGSWFCLRPSGTEPKVKFYFAVKGSSLEDSEKRLAVLSEDVMKTVDEIVESTAK 1P5D Chain:X ((9-459)) --------------------------------------LPASIFRAYDIRGVVGD---TLTAETAYWIGRAIGSESLAR----GEPCVAVGRDGRLSGPELVKQLIQGLVDCGCQVSDV-GMVPTPVLYYAANVLEGKSGVMLTGSHNPPDYNGFKIVVA-GETLANEQIQALRERIEKN-DLA----------SGVGSVEQV--DILPRYFKQIRDDIA-----MAKPMKVVVDCGNGVAGVIAPQLIEALGCS---VIPLYCEVDGNFPNH-HPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNT--G--TIIYPDRLLMLFAKDVVSRNP-------GADIIFDVKCTRRLIALISGYGGRPVMWKTGHSLIKKKMKE------TGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQ---DQRDSEHVFSAFPSDI---STPEINITVTEDS----KFAIIEALQRDAQW--GE------------------------GNITTLDGVRVDYP-KGWGLVRASNTTPVLVLRFEADTEEE------LERIKTVFRNQLKAVDSSL--

General information: TITO was launched using: RESULT: Template: 1P5D.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 2898 -214843 -74.13 -477.43 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain X : 0.68 3D Compatibility (PKB) : -74.13 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_1P5D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1P5D-query.scw PDB file : Tito_Scwrl_1P5D.pdb: