Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHVINFVLKNKFAVWLMTIIVTAAGLYAGMNMKQESIPDVNMPYLTISTTYPGATPSQVADEVTKPVEQAVQNLDGVSVVTSTSYENASSVMIEYDYEKDMDKAKTEAAEALENVNLPDDAK---DP------EISRYSLNSFPILTLSVSSDKDNLQELTKQVEDSLVSKLEGIEGVASVQVSGQQVEEVEFSFKEDKLKEYGLDEDTVKQVIQGSDVTTPLGLYTFGNEEKSVVVSGDIETIKDLKNMRIPTASASSAGSSAASQAGAQSAQAAQSAQAAAQVQQSASTAVPTVKLSDIATI--KDVKKAESVSRTNGKDSI-GINIVKANDANTVEVADDVKAELKKFKED--HKGFNYSATLDMAEPITQSVDTMLSKAIFGAIFAIVIILLFLRDIKSTLISVVSIPLSLLIALLVLQQLDITLNIMTLGAMTVAIGRVVDDSIVVIENIYRRMRLKDEPLRGKALVREATKEMFKPIMSSTIVTIAVFLPLALVGGQIGELFIPFALTIVFALAASLVISITLVPMLAHSLFKKSLTGAPIKAKEHKPG--RLANIYKKVLNWALSHKWITSIIAVLMLLGSLFLVPLIGASYLPSEEEKTMQLTYSPEPGETKKEAENEAEKAEKILLDRKHVDTVQYSLGSG----SPLAGGDSNGALFYIKYESDTPDFDKEKDNVLKEIQKQSDRGEWKSQ-DFSS----------SGNNNELTYYVYGDSENDIKDTVKDIEKIMKDEKDLKNVNSGLSSTYDEYTFVADQEKLSKLGLTASQISQALMSQTSQEPLTTVKKDGKELDVNIKTEKDEYKSVKDLENKKITSATGQEVKIGDVAKVKEGSTSDTVSKRDGKVYADVTGEVTSDNVTAVSAAIQKKIDKLDHPD--NVSIDTGGVSADIADSFTKLGLAMLAAIAIVYLVLVITFGGALAPFAILFSLPFTVIGALVGLYVSGETISLNAMIGMLMLIGIVVTNAIVLIDRVIHKEAEGLSTREALLEAGSTRLRPILMTAIATIGALIPLALGFEGGSQVISKGLGVTVIGGLISSTLLTLLIVPIVYEVLAKFRKKKPGTEEE 4K0J Chain:A ((4-1018)) --RLVTLCFNRRGIVALVFAMVALYGWYAWKQLPLEAYPDIADTTSQVVTQVNGLAAEEVEQQITIPLEREIMGVPGMHVMRSKSTFGLSLITVVFKDGAEDYWSRQRLQERINGVSLPYGAQPSLDPLTSPIGEIYRYTL---------VSKTRD-LRELSELQFWKVIPRLKQVAGVVDVANFGGLTTQFMLEFDPVMLSKYNISLNQITQAISENNANA--GGSILNRGEQGLVVRG-VGLIRNLDDL----------GNIVVTQ----------------------------------GRVVLGNPQRHGILGMDRNPDTIQGITLLLKNENPSV-VMEGVHAAVRDLNDNILPKDVKVVPYIDRSNLVDATVHTVGKTLMEGMFLVSLVLLLFLGSPRAAIIVAVTIPLSLLMAFILMHHFKIPANLLSLGAIDFGI--IVDGAIVVMENILRR-R---------DIM-QSVLQVARPIFFGMIVIITAYLPLFAFQRIEYKLFSPMAFAVGFALFGALLVALLLIPGLA--------------------ALVWLAPRYESVLNR---STRTAIGIAVATLVGVMILGATIGRDFLPYLDEGSIWLQVTLPPGISLEKAGQMADNLRAATMEFPEVEHVVTQVGRNDEGTDPFSPSHIETAVTLHPYSTWTSGRDKQQ---LIEAMATRFRDLPGTQVGFSQPMIDGVLDKLAGAHSDLVVKVYGNDFAETRQVATAITRLLKTVPGAQDVIIDQEPPLPQVRIDVDRAAAARLGINVADVMALIQTGIGGSPVTQVFVEDRSYNVVARFIGSSRNDPEAIGNLTLTAANGAHVALAQVAHIRLAEGETTITREMNKRHLTVRLNLRGRDLSTFLEEARMRIDKEVPYDRTHIQVAWGGQFENQQRAQARLAVILPMVLALMFVLLF-------QPALILMAVPLATLGGLVALHLRGMTLNVSSAVGFIALFGVAVLNAIIMIAN----------LKEAVVRGAGERMRPVLMTATVAALGLIPAALAHGLGSDV-QRPLATVVVGGLITATALTLVLLPALY-YLIETR---------

General information: TITO was launched using: RESULT: Template: 4K0J.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 : 4868 -480097 -98.62 -519.02 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -98.62 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4K0J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K0J-query.scw PDB file : Tito_Scwrl_4K0J.pdb: