Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQHLSKHRHISFTAHYTGYIWYQMGISHEALATSKGKSLAYLVHPLESWAEKYVGGSMRTTLKQRHTMLDHDLEKLIQEN-PDLQVLEIACGLSPRGWWFRQHY-PSISYRELDLPDMAQAKQNALQQIE-----------------------KNAPEVLSVDLFTEA-FAQAF--EVFDSNRPLVVISEGLINYFDKDLLKQLIQSIAHYGASFKKLHYLTDLYPEPVKNKLASIIWNSSKLLKLMSRSSFSF----HFKTPLEVKDFFKDAGFSQVNVEQPQIFFGQVSKDSDEEHLGDLVWTIHAQLK 3IEI Chain:B ((25-288)) ---------GVRGTCEDASLCKRFAV-SIGYWHDPYIQHFVRLSKER-K------APEINRGYFARVHGVSQLIKAFLRKTECHCQIVNLGAGMDTTFWRLKDEDLLSSKYFEVDFPMIVTRKLHSIKCKPPLSSPILELHSEDTLQMDGHILDSKRYAVIGADLRDLSELEEKLKKCNMNTQLPTLLIAECVLVYMTPEQSANLLKWAANSFE--RAMFINYEQVNMGDR-----FGQIMIE---NLRRRQCDLAGVETCKSLESQKERLLSNGWETASAVDMMELYNRL---------------------

General information: TITO was launched using: RESULT: Template: 3IEI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1075 -30929 -28.77 -133.31 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -28.77 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_3IEI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IEI-query.scw PDB file : Tito_Scwrl_3IEI.pdb: