Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGIIRFLLVSFVLFFALSTGITGVQAAPASSKTSADLEKAEVFGDIDMTTSKKTTVIVELKEKSLAEAKEAGESQSKSKLKTARTKAKNKAIKAVKNGKVNREYEQVFSGFSMKLPANEIPKLLAVKDVKAVYPNVTYKTDNMKDKDVTISEDAVSPQMDDSAPYIGANDAWDLGYTGKGIKVAIIDTGVEYNHPDLKKNFGQ-------------------------YKGYDFVDNDY--DPKETPTGDPRGEATDHGTHVAGTVAANGT------------IKGVAPDATLLAYRVLGPGGSGTTENVIAGVERAVQDGADVMNLSLGNSLN-NPDWATSTALDWAMSEGVVAVTSNGNSGPNGWTVGSPGTSREAISVGATQLPLNEYAVTFGSYSSAKVMGYNKEDDVKALNNKEVELVEA--GIGEAK-DF--EGKDLTGKVAVVKRGSIAFVDKADNAKKAGAIGMVVYNNLSGEIEANVPGMSVPTIKLSLEDGEKLVSALKAGE---TKTTFKLT-VSKALGEQVADFSSRGPVMDT-WMIKPDISAPGVNIVSTIPTHDP--------DHPYGYGSKQGTSMASPHIAGAVAVIKQAKPKWSVEQIKAAIMNTAVTLKDS--------DGEVYPHNAQGAGSARIMNAIKADSLVSPGS---YS-----------------------------YG--TFLK---EN---GNETKNETFTIENQSSIRKSYTLEYSFNGSGISTSG-TSRVVIPAHQTGKATAKVKVNTKKTKAGTYEGTVIVREGG-KTVAKVPTLLIVKEPDYPRVTSVSVSEGSVQGTYQIETYLPAGAEELAFLVYDSNLDFAGQAGIYKNQDKGYQYFDWDGTINGGTKLPAGEYYLLAYAANKGKSSQVLTEEPFTVE 3I6S Chain:A ((14-644)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGLWPASGLGQDVIVAVLDSGIWPESASFQDDGMPEIPKRWKGICKPGTQFNASMCNRKLIGANYFNKGILANDPTVNITMNSARDTDGHGTHCASITAGNFAKGVSHFGYAPGTARGVAPRARLAVYKFSFNEG-TFTSDLIAAMDQAVADGVDMISISYGYRFIPLYEDAISIASFGAMMKGVLVSASAGNRGPGIG--SLNNGSPWILCVASGHTDRTFAGTLTLGNGL-KIRGWSLFPAR--AFVRDSPVIYNKTLSDCSSEELLSQVENPENTIVICDDN-GDFSDQMRIITRARLKAAIFISEDPGVFR--SATFPNPGVVVNKKEGKQVINYVKNSVTPTATITFQETYLDTKPAPVVAASSARGPSRSYLGISKPDILAPGVLILAAYPPNVFATSIGTNILLSTDYILESGTSMAAPHAAGIAAMLKAAHPEWSPSAIRSAMMTTADPLDNTRKPIKDSDNNKAATPLDMGAGHVDPNRALDPGLVYDATPQDYVNLLCSLNFTEEQFKTIARSSASHCSNPSADLNYPSFIALYSIEGNFTLLEQKFKRTVTNVG--AATYKAKLKA-PKNSTISVSPQILVFKNNEKQSYTLTIRYIGD----SRNVGSITWVEQNGNHSVRSPIVTSP--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I6S.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 : 3413 95796 28.07 185.65 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 28.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_3I6S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I6S-query.scw PDB file : Tito_Scwrl_3I6S.pdb: