Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCMGRLAVNLSMIFTEVPLIERFALAHAEGFEHVEIQFPYEL-AISDIQDQLERYNLNLCLINVPAGDLMQGGNGLAGIPGQEAAFREALQLAIRYATALKVPRVNILAGKQPQD---SDLLPCLKTLASNLKLACDLLTEHDIEPVFEMINGTDMPRFLVQNIAQAQEMLEAVNHPALKMQYDCYHMAMMGEDVLEGLQENIHQIGHIQFADCPGRH-EPDTAQI-PYEQIFSWIKQSAYEGYIAAEYKPKN----GSNQSFTWKKKYFSDDVNI 3KWS Chain:A ((23-286)) DLELKLSFQEGIA-PGESLNEKLDFMEKLGVVGFEPGGGGLAGRVNEIKQALNGRNIKVSAICAGFKGF-----ILSTDPAIRKECMDTMKEIIAAAGELGSTGVIIVPAFNGQVPALPHTMETRDFLCEQFNEMGTFAAQHGTSVIFEPLNRK--ECFYLRQVADAASLCRDINNPGVRCMGDFWHMTWEETSDMGAFISGGEYLQHVHVASRKRRSMPGEDGDADNYINGFKGLKMIGYNNYVSFECGCQGDRNVVVPAAVKLLREQWEQ----

General information: TITO was launched using: RESULT: Template: 3KWS.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 : 1412 -41231 -29.20 -162.32 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -29.20 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_3KWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KWS-query.scw PDB file : Tito_Scwrl_3KWS.pdb: