Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTDKLLESLNVFIQKAEENQYKQLGEMVPDFPGKSNIPKYVEEYEKGIARLLRRQHKKFLDGLKGFVSKDSEETLKALLV-FFTQNLFAEDDFEEEFQELTEGFLQQTIEEMAEVIMDSIDPEVPFKVLSNRTINWIKDWSKKLAEIMKLNTHEVVED-VLTNAIENGSSIQD-IELTLKDMPQFDRERARTTAITEVLAASSAAQHESYAQSPAVKKK-KWRHSGGK-KNNPRENHI-DLDGTVIGVDEEFQIPGSSE-TCMFPRDPKLSTRERVNCHCVLSPVVDSKILGLSPEEKEEIQREVLANME------ 3CJM Chain:A ((28-282)) -SANTVFFDKINDLLVASVKEFEGTVGISYLDLETGE--------------QRSVNGQHEFYTA----------STIKVPLTML---VADTVASGQKKWTDLIPYNAEEDYEEGTGIIAYNIQPEYPLKTLQEYAITY---------------SDNIAKNMLYDTLGGDAKAKREMYQRYLHKTPSIEEPQFSSEDALVILQKLYTEKATK-PDYQAIYDSMKQSVFHERMETPTTQGKVAHKIGSYDE--------FIHDMGILETPHP-----------FALAIFTKGPDNAKSAAFIASVTDKLWQLQVSEYPNQ

General information: TITO was launched using: RESULT: Template: 3CJM.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 : 1311 75387 57.50 311.52 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 57.50 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.228

(partial model without unconserved sides chains): PDB file : Tito_3CJM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CJM-query.scw PDB file : Tito_Scwrl_3CJM.pdb: