Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGTSRVHSTSGTAGARWNSISLGPRSIAGSTRGPHGLQCRRGFRVLHFLLACAIALHAVTAPLSTCYAYIRHAAAPPSITAETPAAPSLIRPNGLPPAAPAAPWRTLNESLLPYPVFYPAIALLNNSILLLGGCATATCATPVGASGTRVAASRHRASAATSVTSPYHERLLSLNVDKGNITTLPQLTLPSGLGFAGRYAAVTLTDSVYVARSCTMSTQSPAEVASMTAEELQAMQAAYAPVVAFYPEGTAHASTRVGGPDPPPAVNLTYFKVPADRVRVNASCTALATENKLLIIGGFLLSGKRVTASVDSFNVVTRKYDADVAFLTAPVLQPSVATSTGFAAVAGGWTYEADTTASATREARALQEESRVRRSSRVAVSGEPLHLVQELATPPGKSSASPRSDTPSSPPSRSVPSPAPLQPVARYLFDLLFFEPDRVRGCSRAVPRGALQIGGSICVSPVDSSTLPRTAVEDILLSPNGCHVAVFGGQVVLVDHNLGHIAALDIRARLAQAFAARAPLVLRPPPAVTLLRTAKPNAAARTFAGTESAASRDAQASSRHNDHAGSTAVFASSGSSSAAPMTSSTSSSSSATASSSSSSAPLPEYRYSWMQPTLISLPYARRPAPAAAPDPPVMADTILLYYALGGEDVWSQVVTAAGDSAAADLLDPSGRQHVVPQLHGDPSTLRATGKGTEAVVRREPTLRWAQRELPDVRYDRDRPELLAVTMPTPLWPDALTLQTNSEGIIHLAFRDLNYTRYCRWNRLVDNDDDNVVCAVRLSSRRDCVGNTAGTLDSAYDGSPNATILFSASGSTTPVYVCFSYVVRPTLWPTCRIRQSFSILNPMMPLRILDNSHTTSAPTPTPRPSPTRDPADKTTSSPLFMLAVGVSIVTLLVALLLAARLQHVPEDGLLVMSLLDRGDGAGDQHASPGIRGRSCGGAARHNGQGRRKRLLRGSGEPNKAADVEDDDEPGLYPISTYAEFLQVVGSAQEDSEARMLATAVDVLRLHQHRYRVLSRIGQGPHSLCFLALRKAPPPPPLRVQQQRVRGAGAGMNRRVRMLDGDASPVVRSSLFTRPPPSFPAASATLSPGVPTTATSSLWAARHDQSTAVVVKYTQCPDDATRALITRLCERLRDLQADAVTEALGATGVYRQHRNSAPSRRPHRRYRPSDTSTTVSSAAALRPLDVSTQLTCGIAREVASGGRSSRGGAAAQALQTDAEDATAPPTSRRDSSAIIVTTASRAGCQPLPPLSSAANEARVIDGDDDDNSCAWLDAHEVNVVLSLFLLLPEDLFVSYEVSVLQQQNSNSSSQHAHVDRSGRLTPLSVSQAAVEWNRRHVWPGANAEPAKASHHRQ--RHRCTPMLSAGQSLPEQSTPRVCWAACVNPLQPSTLRPWSLCLVMPYERSGDLADFILRCQQVQLLPADVTGAKDTKRTGLSSRTSASPACVPPVHHCWTESLLCSILFQVCTGLQLLHAQSPPILHGNIKQTNVLLREP-----ASFSVARRRV------------------------VVAGTPAALAGMKMGVSSGRGGLEDANGDLDMAAATMRVPGAQQAREGEGGWRDRRLEAGIAAAARPLSAHASFWRASSLVAAATAVWQAGSPVLRSSLSIGSPPSLFRAGATASSSTAAFSHDAPQEGQPQLQPHEDEQLWPPERARHLLSTHTYLPISLTDGGMSWWLTVQLPLRLRGCFGRTTRSTLRQAPAGLCWLRRLDPPPSSPPPITTKSSVLPSEDCIAALADFLFTFIDVPTHVAPELLWGRLCTLSQSDHGDEGGAAAGLAVPGSSLTQSSSSLHSIRNRREQHVASSRRDGRRRGDGDSLTHRRCGDVAREPAASPAVGSANLLRATASDELGANVTGDKQALGVLPQQQQPQLQRHDDPYADEDMDDRDVELDIDEDGIFTCEEVNALTSAMWKAEGLTRVPRGSRHYRQAPPQQRTSAAAVDPLLPGALAASTTTPGGGSVADVTLQPLRNTTGEDGGRRGLGGDMRGLPSSFSNAPLFASTTTAATGLPSTSSTQPTSQALHRHHNDVDRQLCGNSNNGGRRMAEGGGGSVGGEGSRSSSSVYEVLIQRVLAMDTASDIWSLGVLLYGMCADTVDAQQQQQHHRHHQTSASTPTSTLSPPHATEAGSSRVRAHEGVADTLPPAIPTCTCASRLAQRAFAALLGDLYDLAVTGVPSGGPGNNGWSCDGGAGLRSVGGDEGDGVDVEPPDEAADDRLRWPRSCALEDEVMQVIGEAGYTHALASVLASMLSPVAARRPSAGDIVNQLRLVTTGAPATLASDIMRGGGGGLADADREYSVARQSPPPRTRHSGGASDATSSVMLHEQTARMALRQR 4LQS Chain:A ((110-378)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IGKGAFGEVRLVQK------KDTGKIYAMKTLLKSEMYKK---------------SDSPWVVS------LYYSFQDAQYLYLIMEFLPGGDLMTMLIRWQ------------------------------------LFTEDVTRFYMAECILAIETIHKL--GFIHRAIKPDNILIDIRGHIKLSDFGLSTGFHKTHDSNYNRQQIQTWRKSRRLMAYSTVGTPDYIA-----PEIFLYQGYGQECDWWSLGAIM----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LQS.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 : 489 -28320 -57.91 -183.89 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -57.91 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_4LQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LQS-query.scw PDB file : Tito_Scwrl_4LQS.pdb: