Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCMGRLAVNLSMIFTEVPLIERFALAHAEGFEHVEIQFPYELAISDIQDQLERYNLNLCLINVPAGDLMQGGNGLAGIPGQEAAFREALQLAIRYATALKVPRVNILAGKQPQDSDLLPCLKTLASNLKLACDLLTEHDIEPVFEMINGTDMPRFLVQNIAQAQEMLEAVNHPALKMQYDCYHMAMMGEDVLEGLQENIHQIGHIQFADCPGRHEPDTAQIPYEQIFSWIKQSAYEGYIAAE-YKPKNGSNQSFTWKKKYFSDDVNI 5J8L Chain:A ((123-254)) -------------------------------------------------------------------------------------------------------------------DKRPYVDRAIESVRRVIKVAEDYGIIYALEVVN--RFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAILACKGKMGHFHLGEA-NRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMRKGGS-----------------

General information: TITO was launched using: RESULT: Template: 5J8L.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 : 553 -70443 -127.38 -537.73 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -127.38 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_5J8L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5J8L-query.scw PDB file : Tito_Scwrl_5J8L.pdb: