Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTQELDELAHSEAGAFITKSCTINERKGNPEPRYFDVPLGSINSMGLPNLGFSYYLEYALAYEKVQENQNQPLFFSIAGMSVQENLEMLEKIEKSGFNGITELNLSCPNVPGKPQLAYDFEATYETLKEVFSIFSKPLGIKLPPYFDFAHFDQMADILNQFPLTYVNAINSVGNGLYIDTEQEAVVIKPKEGFGGIGGEYIKPTALANVRAFYTRLKPEIQIIGTGGIRTGQDAFEHLLCGASMLQIGTELHKEGPEIFSRIIKELTQIMSEKGYTSIDEFKGKLRTIS 1JQX Chain:B ((24-311)) MTIEDLEELKASQAGAYITKSSTLEKREGNPLPAYVDLELGSINSMGLPNLGFDYYLDYVLKNQK-ENAQEGPIFFSIAGMSAAENIAMLKKIQESDFSGITELNLSCPNVPGKPQLAYDFEATEKLLKEVFTFFTKPLGVKLPPYFDLVHFDIMAEILNQFPLTYVNSVNSIGNGLFIDPEAESVVIKPKDGFGGIGGAYIKPTALANVRAFYTRLKPEIQIIGTGGIETGQDAFEHLLCGATMLQIGTALHKEGPAIFDRIIKELEEIMNQKGYQSIADFHGKLKSL-

General information: TITO was launched using: RESULT: Template: 1JQX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1487 -138044 -92.83 -479.32 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.94 3D Compatibility (PKB) : -92.83 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_1JQX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JQX-query.scw PDB file : Tito_Scwrl_1JQX.pdb: