Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGIIRFLLVSFVLFFALSTGITGVQAAPASSKTSADLEKAEVFGDIDMTTSKKTTVIVELKEKSLAEAKEAGESQSKSKLKTARTKAKNKAIKAVKNGKVNREYEQVFSGFSMKLPANEIPKLLAVKDVKAVYPNVTYKTDNMKDKDVTISEDAVSPQMDDSAPYIGAND-AWDLGYTGKGIKVAIIDTGVEYNHPDLKKNF----------------------GQYKGYDFVDNDYDPKETPTGDPRGEATDHGTHVAGTVAANGT------------IKGVAPDATLLAYRVLGPGGSGTTENVIAGVERAVQDGADVMNLSLGNSLN--NPDWATSTALDWAMSEGVVAVTSNGNSGPNGWTVGSPGTSREAISVGATQLPLNEYAVTFGSYSSAKVMGYNKEDDVKALNNKEVELVE------------AGIGEAK-DFEGKDLTGKVAVVKRGSIAFVDKADNAKKAGAIGMVVYNNLSGEIEANVPGMSVPTIKLSLEDGEKLVSALKAGE---TKTTFKLTVSKALGEQVADFSSRGPVMD-TWMIKPDISAPGVNIVSTIPTHD----PDHPYGYGSKQGTSMASPHIAGAVAVIKQAKPKWSVEQIKAAIMNTAVTLKDSDGEVYPHNAQGAGSARIMNAIKADSLVSPGS------------YSYGTFLK---ENGNETKNETFTIENQSSIRKSYTLEYSFNGSGISTSG-TSRVVIPA-HQTGKATAKVKVNTKKTKAGTYEGTVIVREGGKTVAKVPTLLIVKEPDYPRVTSVSVSEGSVQGTYQIETYLPAGAEELAFLVYDSNLDFAGQAGIYKNQDKGYQYFDWDGTINGGTKLPAGEYYLLAYAANKGKSSQVLTEEPFTVE 4YN3 Chain:A ((7-618)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------FLGFPLTVPRRSQVESNIVVGVLDTGIWPESPSFDDEGFSPPPPKWKGTCETSNNFRCNRKIIGARSYHIGRPIS-PGDVN-GPRDTNGHGTHTASTAAGGLVSQANLYGLGLGTARGGVPLARIAAYKVCWNDG-CSDTDILAAYDDAIADGVDIISLSVGGANPRHYFVDAIAIGSFHAVERGILTSNSAGNGGPNF--FTTASLSPWLLSVAASTMDRKFVTQVQIGNGQ-SFQGVSIN----TFDNQYYPLVSGRDIPNTGFDKSTSRFCTDKSVNPNLLKGKIVVCEASFGP---HEFFKSLDGAAGVLMTSNTRDY----ADSYPLPSSVLDPNDLLATLRYIYSIRSPGATIFKSTTILNASAPVVVSFSSRGPNRATKDVIKPDISGPGVEILAAWPSVAPVGGIRRNTLFNIISGTSMSCPHITGIATYVKTYNPTWSPAAIKSALMTTASPMNAR-FNPQAEFAYGSGHVNPLKAVRPGLVYDANESDYVKFTGRVWDLNYPSFGLSVSPSQTFNQYFNRTLTSVAPQASTYRAMISA-PQGLTISVNPNVLSFNGLGDRKSFTLTVRGSI---KGFVVSASLVWSDG-VHYVRSPITIT---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YN3.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 : 3358 81585 24.30 159.35 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 24.30 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_4YN3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YN3-query.scw PDB file : Tito_Scwrl_4YN3.pdb: