Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLSVKDLTGGYTRNP-VLKNVSFTLEPNQIVGLIGLNGAGKSTTIRHIIGLMDPHKGSIELNGKTFAEDPEGY---RSQFTYIPETP--VLYEELTLMEHLELTAMAYGLSKETMEKRLPPLLKEFRMEKRLKWFPAH-FSKGMKQKVMIMCAFLAEPALYIIDEPFLGLDPLAINALLERMNEAKKG-GASVLMSTHILATAERYCDSFIILHNGEVRARGTLSELREQFGMKDAALDDLYLELTKEDAGHE 3GFO Chain:A ((7-231)) --ILKVEELNYNYSDGTHALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILFDNKPIDYSRKGIMKLRESIGIVFQDPDNQLFSA-SVYQDVSFGAVNMKLPEDEIRKRVDNALKRTGIE-HLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEV--------------------------

General information: TITO was launched using: RESULT: Template: 3GFO.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 : 1087 -162259 -149.27 -747.74 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -149.27 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.615

(partial model without unconserved sides chains): PDB file : Tito_3GFO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GFO-query.scw PDB file : Tito_Scwrl_3GFO.pdb: