Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRVKKLWGMGLALGLSFALMGCTANEQAGKEGSHDKAKTSGEKVLYVNNENEPTSFDPPIGFNNVSWQPLNNIMEGLTRLGKDHEPEPAMAE-KWSVSKDNKTYTFTIRENAKWTNGDPVTAGDFEYAWKRMLDPKKGASSAFLGYFIEGGEAYNSGKGKKDDVKVTAKDDRTLEVTLEAPQKYFLSVVSNPAYFPVNEKVDKDNPKWFAESD-TFVGNGPFKLTEWK---HDDSITMEKSDTYWDKDTVKLDKVKWAMVSDRNTDYQMFQSGELDTAYVPAELSDQLLDQDNVNIVDQAGLYFYRFNVNME--PFQNENIRKAFAMAVDQEEIVKYVTKNNEKPAHAFVSP--GFTQPDGKDFREAGGDLIKPNESKAKQLLEKGMKEENYNKLPAITLTYSTKPEHKKIAEAIQQKLKNSL-GVDVKLANMEWNVFLEDQKALKFQFSQSSFLPDYADPISFLEAFQTGNSMNRTGWANKEYDQLIKQAKNEADEKTRFSLMHQAEELLINEAPIIPVYFYNQVHLQNEQVKGIVRHPVGYIDLKWADKN 4FAJ Chain:A ((58-552)) -----------------------------------------VEQVATLTAGTPVQSLDPATAVDQTSITLLANVMEGLYRLDEKNQPQPAIAAGQPKVSNNGKTYTIVIRDGAKWSDGTQITASDFVAAWQRVVDPKTVSPNVELFSAIKNAKEIASGKQAKDTLAVKSIGEKTLEIELVEPTPYFTDLLSLTAYYPVQQKAIKEYGKDYGVSQKAIVTNGAFNLTNLEGVGTSDKWTISKNKEYWDQKDVSMDKINFQVVKEINTGINLYNDGQLDEAPLAGEYAKQYKKDKEYSTTLMANTMFLEMNQTGENKLLQNKNVRKAINYAIDRESLVKKLLDNGSVASVGVVPKEMAFNPVNKKDF--ANEKLVEFNKKQAEEYWDKAKKEIDLSKNTSLDLLVSDGEFEKKAGEFLQGQLQDSLEGLKVTVTPIPANVFMERLTKKDFTLSLSGWQADYADPISFLANFETNSPMNHGGYSNKNYDELLKDSSSK-----RWQELKKAEKLLINDMGVVPIFQVGTAKLEKSKIKNVLMHSIG----------

General information: TITO was launched using: RESULT: Template: 4FAJ.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 : 2677 -126339 -47.19 -260.49 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -47.19 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_4FAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FAJ-query.scw PDB file : Tito_Scwrl_4FAJ.pdb: