Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MISKRKHVIIFPILCKKIQGGGSTMIEEYIEKNILRQLFLCGQFYVNKEVNLEKLSNLLHVCKTTLLNDI--NNIKKEFEEQIAYTHREKDRYTLYFSEHIPRCKIM-QQLSQNSLFLKTCLLYLEEDEPDYLQLTECEFISVSKAYSLKKQVLAYFNDCGIEIDRYSPRFTEMERRLLLLNVSYRLGGFNSWELPESFFERADRFIESVTENSGRFYDKENKEILSIGFAISFLRQQVCAVTIDSKFIEEIKKRPIYNYVESAWENTDFQTYYKKEEFAFILTLFNLCNYGFHSY-QLIAEDFQQLHQVFIDNTPEIKELVATFESHFNQELFGNQPFERALIHLMRSAWDNYQLFMPEKFYLLNEEQTNLYKEVQTIFSS-WSSQLPYDLRLN---PNCMRAFVIELSGILRLTKEHLTIYIVTNSDVHYLIYREALEAVTTF----DFQVAPTIYSSISDIKKYAQQSSNRVLCERTLYTPDAVQYENIIPISINTIDRAIISAVQNK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ 5FVM Chain:A ((85-2469)) NVKAFDLIFTKLNQLERVAASYELKSCLISLVSTEYFQRFSNDINNKVFELIHDSNEKLGGVLAVDTLIDELPNQTSRLANYLRVLIDIEVMRAAATTLGKLAVLTSEFVEFEVKTCIEWLTQEYRKHASLLIISSYPFVNSILDNIWRALRKLVIRTDAAVTLGKCLTSSLTKKWVQRLFNGCIHGTLLVYRQLVSLELKDKYEEIYETTMKHRDNIIIRKEIYAIIPVLAADPKLFTQKYLDATMIHYLTLLLSDKGPILVSIGDIAYHIGPYLDAIVENLRDGLETKFKTRKEKDIFYCVSKLACAVRPLLAKYLNRGLLDASDHMQETLLVICEKISMEVTVNEKLLNIICLVLSGEKFRPPGSPTPMKSLSSETARAYRDQSLLRKT--------------GTLDAMILRKALRMLSDIKPKYSLTEFIRRVIISYMEHDNMQVRKLAALTSCDLFVKSLYALNVVSEVLSKLLTVAITDPVAEIRLEILKHLDRLSQPDNTKLLFMALNDEVFAIQMEAMKICGRLAVIPSLRKTLIQLLTELKHSKMTRKKEECASLLCTLISSSSDVTKPYLEPVIEILLPSAVASTALKALGEISVVGGEDMLPFLDELMPLIIDTFQDQSNSFKRGAALKALGQLAASSYPELLGVLINILSQNIRRETVRLIGILGALDPYKHREV------DVALLMQGEEYYPTVVIGVLMKILKDSIHHSTVIQAIMHIFQTMFLKQIIPGFILVMHPPSLLELYFQQLSVLISIVKQHIRPHVTEIVDVISLTIISVIESLSRALEGEFNPHLPTILSLFLDVLENKKVVSVRILKSLVVFGPHLEEYVHLVLPTIIKLSSGNLKKAAIITIGRLSKNNALEMSSRIVQALVRVLNETEYVKATMNTLSLLLLQLNIDFTVFIPVINKTLTIYDRLVAKLLNNEPLPTKIIIDKDFDLPNKEMDDVKVASKKLPVNQMVLKNAWDCSQQRTKEDWQEWIRRLSIESSSHALRACSGLAGIYYPLARELFNASFAQYQEDLIQSLCAALSSTLLNLVEFMEHDDKPLPISISTLGEYAQRCHAYAKALHYKELEFIEEPSTSTIESLITINNQLHQTDAAIGILKHAQQHHDLQLKETWYEKLQRWDDALNAYNKREAEVTIGKMRSLHALGEWDQLSELAADKWASSEVKRAIAPLAAGAAWGLAQWDRVEQYIEVMKPQSPDKAFFDAILCLHRNNFEKAAEHIFSARDLLVTEMSALYNRAYGVVVRTQMVAELEEIIQYKKLPQGSERRAMIRKTWNKRLLGCQNVDVWQRVLKVRSLVIKPKQDMKVWIKFANLCRKSGRLGLAQKTLNTLLEAPPPVVYAQLKYMWATGSQKEALNHLISFTSRMAHDLGLQHHIEDYTKLLARCFLKQGEWRVSLQPNWRLENPDAILGSYLLATHFDKTWYKAWHNWALANFEVTSSLTQRIKDDKVPPTLNANDNFPPELVQRHVVPAIKGFFHSIALSQSSLQDTLRLLTLWFKFGGIPEAAQAMHEGFGLIKIDNWLEVIPQLISRIHQPNQTVSRSLLSLLADLGKAHPQALVYPLTVAIKSDSVSRQRAALSIIDKMRMHSPKLVNQAELVSDELIRVAVLWHELWYEGLEDASRQFFGEHNTEKMFATLEPLHEMLKRGPETLREISFQNSFGRDLNDAYEWVLNYKRTKDINNLNQAWDIYYNVFRRISRKLPQLQTLDLQHVSPKLSAAKDLELAVPGTYHAGKPIVRITHFEPVFTVISSKQRPRRVIIKGSDGKDYQYLLKSHEDIRQDNLVMQLFGLVNTLLQNDPESFQRHLNIQQYPAIPLSPKTGLLGWVPNSDTFHVLIREHREASKIPLNIEHRIMLQMAPDYDNLTLLQKVEVFTYALDNTKGQDLYKVLWLKSRSSESWLDRRTTYTRSLAVMSMVGYILGLGDRHPSNLMLDRITGKVVHIDFGDCFEAAILREKYPEKVPFRLTRMLTYAMEVSGIEGSFRITCENVMMVLRDNKESLMAILEAFAYDPLINWGFDLPTHAVMEQTGIDLPLANPSELLRKGVISVEDAAKMELQQKAEVRNARATLVLKRIADKLTGNDFPRCQELSVPDQVDKLIQQATSVENLCQHYIGWCS

General information: TITO was launched using: RESULT: Template: 5FVM.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 : 2167 -47580 -21.96 -99.33 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -21.96 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_5FVM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FVM-query.scw PDB file : Tito_Scwrl_5FVM.pdb: