Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDE--YKNDEDKMLFEEIENRCRLNFELRGKMSLIQQKKYLANKSEFTLGHVEKLISDWISSRSEFTKIK--QPIKFDMKKLLLNKSEIGNR-DQYIRAKGQEIIDSLGEMRSYNYLYVTHRADGMVITVGKSSSNDIFLDGDLFYQLNTNHLSGTENIILRTEYGNEIFAKYDEILKNYLDWAWIIPVESGDAKKLERLLGDELINKKVPILNYYSHRQ 2MPW Chain:A ((39-153)) MNGENYFKLGSDSKLLTHNSYQNRLFYTLKTGET----VADLSKSQDINLSTIWSLNKHLYSSESEMMKAAPGQQIILPLKKLPFEYSALPLLGSAPLVAAGGVAGHTNGSGSENLYFQ------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2MPW.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 : 192 12710 66.20 115.54 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 66.20 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.308

(partial model without unconserved sides chains): PDB file : Tito_2MPW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MPW-query.scw PDB file : Tito_Scwrl_2MPW.pdb: