Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSIISKHKAYFAAGHTRPLESRLNILRKLKQAVRTHEADLIAALYQDLHKSEQEAYSTEIGIVLEEISFVMKRLRKWSKPKRVKTPLTHLGSKSIIIPEPYGTVLVIAPWNYPLQLALSPLIGAIAAGNTVVLKPSEYTPAVSAILSKLISSV-FPTDYVAMAEG-GPDVSTALL-QQPFDYIFFTGSVAVGKIVMEAAAK-QLIPVTLELGGKSPCIVHKDADIQLAAKRIVFGKFTNAGQTCIAPDYLFVHEDIKTKLTEEM-----KRAIREFYGPQPERNPQYGKIVSERHYQRLLSFLNDG-----IPLTGGQ--SDPNHHKIAPTILEQVRDDSPVMQEEIFGPILPLFTYRNIGEVIEKVQSRPKPLALYLFTTNKEIERAVLGNLSFGGGCVNDTLMHVATPYLPFGGVGESGIGSYHGFDSFNTFTHKKSVVKQTNRFDFAFRYPSSKNGLRMIRKILK 4PXL Chain:B ((171-508)) ----------------------------------------------------------------------------------------------------LKEPVGVVGHIVPWNYPTTMFFFKVGPALAAGCAVVVKPAEQTPLSALFYAHLAREAGVPAGVLNVVPGFGPTAGAAVAAHMDVDKVSFTGSTEVGRLVMRAAAESNLKPVSLELGGKSPVIVFDDADLDMAVNLVNFATYTNKGEICVAGTRIYVQEGIYDEFVKKAAELASKSVVGDPFNPSVSQGPQ----VDKDQYEKVLRYIDIGKREGATLVTGGKPCGDKGYY-IEPTIFTDVKDDMTIAQDEIFGPVMALMKFKTVEEVIQKANNTRYGLAAGIVTKNIDVANTVSRSIRAGAIWIN--CYFAFDPDAPFGGYKMSGFGKDMGMDALDKYLQTKTVV---------------------------

General information: TITO was launched using: RESULT: Template: 4PXL.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 : 1801 -31286 -17.37 -97.16 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -17.37 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_4PXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PXL-query.scw PDB file : Tito_Scwrl_4PXL.pdb: