Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGTSRVHSTSGTAGARWNSISLGPRSIAGSTRGPHGLQCRRGFRVLHFLLACAIALHAVTAPLSTCYAYIRHAAAPPSITAETPAAPSLIRPNGLPPAAPAAPWRTLNESLLPYPVFYPAIALLNNSILLLGGCATATCATPVGASGTRVAASRHRASAATSVTSPYHERLLSLNVDKGNITTLPQLTLPSGLGFAGRYAAVTLTDSVYVARSCTMSTQSPAEVASMTAEELQAMQAAYAPVVAFYPEGTAHASTRVGGPDPPPAVNLTYFKVPADRVRVNASCTALATENKLLIIGGFLLSGKRVTASVDSFNVVTRKYDADVAFLTAPVLQPSVATSTGFAAVAGGWTYEADTTASATREARALQEESRVRRSSRVAVSGEPLHLVQELATPPGKSSASPRSDTPSSPPSRSVPSPAPLQPVARYLFDLLFFEPDRVRGCSRAVPRGALQIGGSICVSPVDSSTLPRTAVEDILLSPNGCHVAVFGGQVVLVDHNLGHIAALDIRARLAQAFAARAPLVLRPPPAVTLLRTAKPNAAARTFAGTESAASRDAQASSRHNDHAGSTAVFASSGSSSAAPMTSSTSSSSSATASSSSSSAPLPEYRYSWMQPTLISLPYARRPAPAAAPDPPVMADTILLYYALGGEDVWSQVVTAAGDSAAADLLDPSGRQHVVPQLHGDPSTLRATGKGTEAVVRREPTLRWAQRELPDVRYDRDRPELLAVTMPTPLWPDALTLQTNSEGIIHLAFRDLNYTRYCRWNRLVDNDDDNVVCAVRLSSRRDCVGNTAGTLDSAYDGSPNATILFSASGSTTPVYVCFSYVVRPTLWPTCRIRQSFSILNPMMPLRILDNSHTTSAPTPTPRPSPTRDPADKTTSSPLFMLAVGVSIVTLLVALLLAARLQHVPEDGLLVMSLLDRGDGAGDQHASPGIRGRSCGGAARHNGQGRRKRLLRGSGEPNKAADVEDDDEPGLYPISTYAEFLQVVGSAQEDSEARMLATAVDVLRLHQHRYRVLSRIGQGPHSLCFLALRKAPPPPPLRVQQQRVRGAGAGMNRRVRMLDGDASPVVRSSLFTRPPPSFPAASATLSPGVPTTATSSLWAARHDQSTAVVVKYTQCPDDATRALITRLCERLRDLQADAVTEALGATGVYRQHRNSAPSRRPHRRYRPSDTSTTVSSAAALRPLDVSTQLTCGIAREVASGGRSSRGGAAAQALQTDAEDATAPPTSRRDSSAIIVTTASRAGCQPLPPLSSAANEARVIDGDDDDNSCAWLDAHEVNVVLSLFLLLPEDLFVSYEVSVLQQQNSNSSSQHAHVDRSGRLTPLSVSQAAVEWNRRHVWPGANAEPAKASHHRQRHRCTPMLSAGQSLPEQS-TPRVCWAACVNPLQPSTL-RPWSLCLVMPYERSGDLADFILRCQQVQLLPADVTGAKDTKRTGLSSRTSASPACVPPVHHCWTESLLCSILFQVCTGLQLLHAQSPPILHGNIKQTNVLLREP-----ASFSVARRRVV---------VAGTPAALAGMKMGVSSGRGGLEDANGDLDMAAATMRVPGAQQAREGEGGWRDRRLEAGIAAAARPLSAHASFWRASSLVAAATAVWQAGSPVLRSSLSIGSPPSLFRAGATASSSTAAFSHDAPQEGQPQLQPHEDEQLWPPERARHLLSTHTYLPISLTDGGMSWWLTVQLPLRLRGCFGRTTRSTLRQAPAGLCWLRRLDPPPSSPPPITTKSSVLPSEDCIAALADFLFTFIDVPTHVAPELLWGRLCTLSQSDHGDEGGAAAGLAVPGSSLTQSSSSLHSIRNRREQHVASSRRDGRRRGDGDSLTHRRCGDVAREPAASPAVGSANLLRATASDELGANVTGDKQALGVLPQQQQPQLQRHDDPYADEDMDDRDVELDIDEDGIFTCEEVNALTSAMWKAEGLTRVPRGSRHYRQAPPQQRTSAAAVDPLLPGALAASTTTPGGGSVADVTLQPLRNTTGEDGGRRGLGGDMRGLPSSFSNAPLFASTTTAATGLPSTSSTQPTSQALHRHHNDVDRQLCGNSNNGGRRMAEGGGGSVGGEGSRSSSSVYEVLIQRVLAMDTASDIWSLGVLLYGMCADTVDAQQQQQHHRHHQTSASTPTSTLSPPHATEAGSSRVRAHEGVADTLPPAIPTCTCASRLAQRAFAALLGDLYDLAVTGVPSGGPGNNGWSCDGGAGLRSVGGDEGDGVDVEPPDEAADDRLRWPRSCALEDEVMQVIGEAGYTHALASVLASMLSPVAARRPSAGDIVNQLRLVTTGAPATLASDIMRGGGGGLADADREYSVARQSPPPRTRHSGGASDATSSVMLHEQTARMALRQR 4ASE Chain:A ((72-276)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGRGAFGQVIEADA-FGIDKTATCRTVAVKMLKEGATHSEHRALMSELKILIHIGHHLNVVN------LLGACTKPGGPLMVIVEFCKFGNLSTYLRSKRNEF-VP-----Y---------------------YKDFLTLEHLICYSFQVAKGMEFLASR--KCIHRDLAARNILLSEKNVVKICDFGLARDIYKDPDYVRKGDARLPLKWMA-----PETIFDRVYTIQSDVWSFGVL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ASE.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 : 749 -30871 -41.22 -169.62 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -41.22 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_4ASE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ASE-query.scw PDB file : Tito_Scwrl_4ASE.pdb: