Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKVIIDCDPGIDDTLALSLAVKSPDIEVVAITVVCGNVPADIGTQNVLKCLERCDRLDIPVYQGMEKPLKQPFISAQDTHGMDGLGETNFPMILRKQAEPLHAVDFLADYF--KEKTNTSVIALGPLTNIASALKVNPNIGKHMERFVSMGGTYKSHGNCSPVAEYNYWCDPEAASYVFENLKQTIEMVGLDVTREIVLTPTILEYCCQMNPEEGEYLKAITRFYFDFHWKQERILGCVINDPLAVAYFIEEAICEGFKSFTAVETQG-ISRGQTLVDRYEFWQKPANSKIMTKVDTRLFFRKFLTVLLNAQEETIMKDLERLKMG 2MAS Chain:D ((2-308)) -KKIILDCDPGLDDAVAILLAHGNPEIELLAITTVVGNQTLAKVTRNAQLVADIAGITGVPIAAGCDKPLVRKIMTAGHIHGESGMGTVAYPAEFKNKVDERHAVNLIIDLVMSHEPKTITLVPTGGLTNIAMAARLEPRIVDRVKEVVLMGGGYHE-GNATSVAEFNIIIDPEAAHIVF-NESWQVTMVGLDLTHQALATPPILQRVKEVDTNPARFMLEIMDYYTKIYQSNRYMAAAAVHDPCAVAYVIDPSVMTTERVPVDIELTGKLTLGMTVAD----FRNPRPEHCHTQVAVKLDFEKFWGLVLDALE-------------

General information: TITO was launched using: RESULT: Template: 2MAS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1898 -96177 -50.67 -316.37 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.79 3D Compatibility (PKB) : -50.67 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_2MAS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MAS-query.scw PDB file : Tito_Scwrl_2MAS.pdb: