Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQERKVALVTGASRGIGAAIAQQLIQDGYFVVGTATSESGAQKLTDSF---GEQGAGLALDVRNLDEIEAVVSHIEQNYGPVLVLVNNAGITKDNLLLRMSEDDWDDILNIHLKAVYRLSKRVLKGMTKARFGRIINISSVVAHFANPGQANYSAAKAGIEAFSRSLAKEMGSRQITVNSVAPGFIATEMTDALSEDIRKKMSDQVALNRLGEPQDIANAVSFLASDKAGYITGTVLHVNGGLYMA 4BNY Chain:C ((23-269)) MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGIT----------DEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS

General information: TITO was launched using: RESULT: Template: 4BNY.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 : 1254 -79415 -63.33 -339.38 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain C : 0.89 3D Compatibility (PKB) : -63.33 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_4BNY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BNY-query.scw PDB file : Tito_Scwrl_4BNY.pdb: