Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEALTEQKSQKWAISLFTIGVFMAALDNGIISAALTTIN------ESFSVSPSWGSWGITLYTLGLSVSVPIVGKLSDR-YGRKKLFLIEVCLFGLGSLLVALSQSFPLFLISRLIQALGGGGIFIIGSSHILATLPK--EKQGKALGLLGAMNGMAAVLGPNIGSFLLDWTGSWHWLFLINLPIAVLLVVFGACFIAETKAPEAKRLDAAGIFLLSLSIL--------AVMYGMTNLDGANLLHSLGNPEVYGCIIFGILCFAALISYEKRVEMRGGDPILAYSLLRNHMFQRTLIIGLLSG-GLLAAVIFIPSYVEQYLGVPA----AKAGYWMTPLALASGIGAWLGGALTDKKGPVKT-----VILSGIISCAGFALFPLWV-------TEKWEFVIASVAAGIGFGFLLGAPLNVLVSEAAK-TNKGTALGTLSLVRQIGLTLAPTLYAGFITAGFDQIGDEINSRLSDSGYSEKAMQMIPEIDSSEVSSLQEQIERIPVPEVKTAISDAIHASVASGYDHLYAAAAVVSLLVIAAISIPAFRRQKR 4IKV Chain:A ((27-460)) ----------------TLFFTEFWERFSYYGMRAILVYYMYYEVSKGGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIALAIPGGVAALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKY-NFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIP----NGWFTVETFISLVGILGIIIPIIYFVVM---YRSPKTTAEERSRVIAYIPLFVASAMFWAIQEQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHPIWLVLSYFIVVLGELCLSP-VGLSATTKLAPAAFSAQTMSLWFLSNAAAQAINAQLVRFYTP----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IKV.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 : 1901 -276756 -145.58 -693.62 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -145.58 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.215

(partial model without unconserved sides chains): PDB file : Tito_4IKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKV-query.scw PDB file : Tito_Scwrl_4IKV.pdb: