Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVDD---SGTKAKNITVDILKKYGLITS 1XA1 Chain:C ((26-253)) ------------------------------------------FGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPNSTYKIYLAMFGLDRHIIN-ENSRMSW-HKHYPFDAWNKEQDLNTAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNL-GSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIV-YNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGVLN-

General information: TITO was launched using: RESULT: Template: 1XA1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1170 -107347 -91.75 -487.94 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : -91.75 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_1XA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XA1-query.scw PDB file : Tito_Scwrl_1XA1.pdb: