Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRERMEKERVDVLAVKQGLFETREQAKRSVMAGLIYNEKNERFDKPGEKIPVSSELRVKGKKLPYVSRGGLKLEKALKAFDLSVEGKTLLDIGASTGGFTDAALQNGAKMSYALDVGYNQLAWKIRQDPRVVVMERVNFRYAKPEDFTLGIPEVAVIDVSFISLKLMLPPLHAILKEEGEVIALIKPQFEAGREAVGKNGIVRDPQTHQKVLEDILSFAAQGGYDVLELSYSPITGGEGNIEFLAHLRKVPESGTINSAINMAEVVSNAHEQFDHK 4QPP Chain:B ((81-113)) ----------------------------------------------------------------------------------ALRGKTVLDVGAGTGILSIFCAQAGARRVYAVE-----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QPP.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 : 97 -6258 -64.51 -189.62 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -64.51 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.696

(partial model without unconserved sides chains): PDB file : Tito_4QPP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QPP-query.scw PDB file : Tito_Scwrl_4QPP.pdb: