Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSWKNWLIKINYCVYKKKRKGRMRKFLIILLLPSFLTISKVVSTEKEVVYTSKEIYYLSQSDFGIYFREKLSSPMVYGEVPVYANEDLVVESGKLTPKTSFQITEWRLNKQGIPVFKLSNHQFIAADKRFLYDQSEVTPTIKKVWLESDFKLYNSPYDLKEVKSSLSAYSQVSIDKTMFVEGREFLHIDQAGWVAKESTSEEDNRMSKVQEMLSEKYQKDSFSIYVKQLTTGKEAGINQDEKMYAASVLKLSYLYYTQEKINEGLYQLDTTVKYVSAVNDFPGSYKPEGSGSLPKKEDNKEYSLKDLITKVSKESDNVAHNLLGYYIS-NQSDATFKSKMSAIMGDDW----------DPKEKLISSKMAGKFMEAIYNQN-------GFVLESLTKTDFDSQRIAKGVS--VKVAHKIGDA-DEFKHDTGVVYAD--SPFILSIFTKNSDY------DTISKIAKDVYEVLK 5HW3 Chain:A ((20-265)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGRLGVFAIDTGSGRTLGHRADERFLMCSTFKGLLAAQILARVDSGSERLDRLVHYTEKD-------LIFTSPVTKANVAQGAMSIEALCRAVLVESDNTAAILLMRSAGGPAALTRFVRGLG-DTVTRSDRYEPDSNRYHGVLDTTTPKAIAATAQRLLLGDVLSAGSRARLERGMTDCKPGLNRIRAALPAGWLAADRPGTSVDRETNDYALVRPPGRAPLLVAVYYDAPGVSMDAREAVLREAGSAFVQWA-

General information: TITO was launched using: RESULT: Template: 5HW3.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 : 1187 -25449 -21.44 -117.28 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -21.44 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_5HW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HW3-query.scw PDB file : Tito_Scwrl_5HW3.pdb: