Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTQELDELAHSEAGAFITKSCTINERKGNPEPRYFDVPLGSINSMGLPNLGFSYYLEYALAYEKVQENQNQPLFFSIAGMSVQENLEMLEKIEKSGFNGITELNLSCPNVPGKPQLAYDFEATYETLKEVFSIFSKPLGIKLPPYFDFAHFDQMADILNQFPLTYVNAINSVGNGLYIDTEQEAVVIKPKEGFGGIGGEYIKPTALANVRAFYTRLKPEIQIIGTGGIRTGQDAFEHLLCGASMLQIGTELHKEGPEIFSRIIKELTQIMSEKGYTSIDEFKGKLRTIS 2BX7 Chain:A ((24-311)) MTIEDLEELKASQAGAYITKSSTLEKREGNPLPRYVDLELGSINSMGLPNLGFDYYLDYVLKNQK-ENAQEGPIFFSIAGMSAAENIAMLKKIQESDFSGITELNLSCPNVPGKPQLAYDFEATEKLLKEVFTFFTKPLGVKLPPYFDLVHFDIMAEILNQFPLTYVNSVNSIGNGLFIDPEAESVVIKPKDGFGGIGGAYIKPTALANVRAFYTRLKPEIQIIGTGGIETGQDAFEHLLCGATMLQIGTALHKEGPAIFDRIIKELEEIMNQKGYQSIADFHGKLKSL-

General information: TITO was launched using: RESULT: Template: 2BX7.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 : 1484 -134716 -90.78 -467.76 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -90.78 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_2BX7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BX7-query.scw PDB file : Tito_Scwrl_2BX7.pdb: