Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MKKQLPKISTTSKALAKSLLLAQ-GVLDQAKKYSTLPFTQTHII--LPRIDEKYYSWTHYGIF--FPLLPEPHRYLNIMILIGTPGALAFDHDDIITGNPRKTATFFSSTAALEQALLKAYIIPEDTKINKDGTLIELGQEISIQGKFPHIHINGHYDGFDFDF--DIDITSHVSWFIKTPIYDHFSLLAKFKGFLNYQAKHIETQGLCTYEYARAVGPHSITNKLIPDAYKLPLDFFTYQIINLNEATQLLLTKADIAGQTAAYTLHIRHLDQP-------AEIYTDVSFDIISHQVDDFVSPSGQKMRLPKYFSWIAR-NDAKQIILNIQAEIDCPFRYGHGRGYASSYIFTGHYFGNEVQGRGY--IEYVDIENPQAFEDE--------- 5MPT Chain:A ((7-385)) LGGSILPKSAILDAFRIAKEATDDFILNGQLGTYYNEVMPRSTELCVAHIVNAFEQLGCPIRSAAAYQRLERVPYLPKHERFMNLIYGLLEEARLIDINGSEITRTSVPVST--KSVETMLEELLHDEPLHAAEHKLTSLTGSKFADCIT-----------GKEDGLQLIFGSPEGREIVTDVYAKSPINAVWIQQAEF--FLEQLVKRLPNTGEPLRILEMGAGTGGTTVKMLPLLERLGVP-VEYTMTDLS--SSLIAAARKRFKKYPFMKFKVVNIESPPDPQLVHSQHIILATNCVHATRNLEISTRNIHRILRPDGFLLLLEMTEQVPWVDFIFGLLEGWWLFEDGRRHALQ---PATHWKKILTSVGYGHVDWTEGTRPEANIQRLIIALASEP

General information: TITO was launched using: RESULT: Template: 5MPT.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 : 1693 -48124 -28.42 -139.09 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -28.42 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_5MPT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MPT-query.scw PDB file : Tito_Scwrl_5MPT.pdb: