Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRVKKLWGMGLALGLSFALMGCTANEQAGKEGSHDKAKTSGEKVLYVNNENEPTSFDPPIGFNNVSWQPLNNIMEGLTRLGKDHEPEPAMAEK-WSVSKDNKTYTFTIRENAKWTNGDPVTAGDFEYAWKRMLDPKKGASSAFLGYFIEGGEAYNSGKGKKDDVKVTAKDDRTLEVTLEAPQKYFLSVVSNPAYFPVNEKVDKD-NPKWFAESDTFVGNGPFKLTEWK---HDDSITMEKSDTYWDKDTVKLDKVKWAMVSDRNTDYQMFQSGELDTAYVPAELSDQLLDQDNVNIVDQAGLYFYRFNVN--MEPFQNENIRKAFAMAVDQEEIVKYVTKNNEKPAHAFVSPGFTQPDGKDFREAGGDLIKPNESKAKQLLEK-GMKEENYNKLPAITLTYSTKPEHKKIAEAIQQKLKNS-LGVDVKLANMEWNVFLEDQKALKFQFSQSSFLPDYADPISFLEAFQTGNSMNRTGWANKEYDQLIKQAKNEADEKTRFSLMHQAEELLINEAPIIPVYFYNQVHLQNEQVKGIVRHPVGY-IDLK--WADKN 4FAJ Chain:A ((58-564)) -----------------------------------------VEQVATLTAGTPVQSLDPATAVDQTSITLLANVMEGLYRLDEKNQPQPAIAAGQPKVSNNGKTYTIVIRDGAKWSDGTQITASDFVAAWQRVVDPKTVSPNVELFSAIKNAKEIASGKQAKDTLAVKSIGEKTLEIELVEPTPYFTDLLSLTAYYPVQQKAIKEYGKDYGVSQKAIVTNGAFNLTNLEGVGTSDKWTISKNKEYWDQKDVSMDKINFQVVKEINTGINLYNDGQLDEAPLAGEYAKQYKKDKEYSTTLMANTMFLEMNQTGENKLLQNKNVRKAINYAIDRESLVKKLLDNGSVASVGVVPKEMAFNPVNKKDFANEKLVEFNKKQAEEYWDKAKKEIDL-SKNTSLDLLVSDGEFEKKAGEFLQGQLQDSLEGLKVTVTPIPANVFMERLTKKDFTLSLSGWQADYADPISFLANFETNSPMNHGGYSNKNYDELLKDS-----SSKRWQELKKAEKLLINDMGVVPIFQVGTAKLEKSKIKNVLMHSIGAKYDYKKMRIEK-

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 : 2793 -120936 -43.30 -244.32 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -43.30 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.456

(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: