Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILSWDDFEDDSQKPAAPEHKSAPVNPEKTPDSQNVSAAQPSSQSMAAPQSTGTHSVRSTNPTDSMARASEALEHLDVAPGLEELEMGAQRVQVDDKAMINCRADLNQLVPFKYEWAWQKYLDGCANHWMPQEVNMNHDIALWKSENGLTEDERTIVMRSLGFFSTADSLVANNLVLAIYRHITNPECRQYILRQAFEEAIHTHAYQYCIESLGMDEGE---VFNMYREIPSVARKAAWGLKYTQSLSDPTFHTGTPENDQRLLRNLIAFYCVLEGIFFYCGFTQILSMGRRNKMNGVAEQFQYILRDESMHLNFGIDMINQIKIENPHLWTAEFQQEVIQMILEGTMLEIEYARDTMPRGVLGMNASMMEEYLKFICNRRLSQLGLPEQFAGVTNPFAWMSEMMDLRKEKNFFETRVTDYQTGGALSW 1XSM Chain:A ((65-352)) -------------------------------------------------------------------------------------------NPSVEDEPLLRENPRRFVVFPIEYHDIWQMYKKAEASFWTAEEVDLSKDIQHWEA---LKPDERHFISHVLAFFAASDGIVNENLVERFSQEVQVTEARCFYGFQIAMENIHSEMYSLLIDTYIKDPKEREYLFNAIETMPCVKKKADWALRW---IGDKEATYG---------ERVVAFAAV-EGIFFSGSFASIFWLKKRGLMPGLTFSNELISRDEGLHCDFACLMFK-------HLVHKPAEQRVREIITNAVRIEQEFLTEALPVKLIGMNCTLMKQYIEFVADRLMLELGFNKIFR-VENPFDFM-E--------------------------

General information: TITO was launched using: RESULT: Template: 1XSM.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 : 1345 -109134 -81.14 -382.92 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -81.14 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_1XSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XSM-query.scw PDB file : Tito_Scwrl_1XSM.pdb: