Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKLDTLQNKVVWITGASSGLGKALAGEFALQGAQVILTSRRFEELEEVRVGLLHPDQHLSVVADITNQEQVQEAYEQILKAKGRIDWLINNAGLSQRALIQDTTMATERAIMEVDYFSQVALTKTVLPTMLKQKSGRVVFVSSVAGLLGTQYRASYSAAKAAIHMWANSLRAEVADQGVEVSVIFPGFVKTNVSFNALNGAGQPQGHQDEAIENGLEADVFAEQSVKALMQGQEYIVVGGTKEKLGVMVSRMSPKLLYKMIRKTKVK 4WK6 Chain:C ((6-200)) --QFMNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYL--GDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVASVVG------QANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMT-KALN--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WK6.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 : 918 -102216 -111.35 -540.82 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.72 3D Compatibility (PKB) : -111.35 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.641

(partial model without unconserved sides chains): PDB file : Tito_4WK6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WK6-query.scw PDB file : Tito_Scwrl_4WK6.pdb: