Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSWKNWLIKINYCVYKKKRKGRMRKFLIILLLPSFLTISKVVSTEKEVVYTSKEIYYLSQSDFGIYFREKLSSPMVYGEVPVYANEDLVVESGKLTPKTSFQITEWRLNKQGIPVFKLSNHQFIAADKRFLYDQSEVTPTIKKVWLESDFKLYNSPYDLKEVKSSLSAYSQVSIDKTMFVEGREFLHIDQAGWVAKESTSEEDNRMSKVQEMLSEKYQKDSFSIYVKQLTTGKEAGINQDEKMYAASVLKLSYLYYTQEKINEGLYQLDTTVKYVSAVNDFPGSYKPEGSGSLPKKEDNKEYSLKDLITKVSKESDNVAHNLLGYYIS-NQSDATFKSKMSAIMGDDW------------DPKEKLISSKMAGKFMEAIYNQN-------GFVLESLTKTDFDSQRIAKGVS--VKVAHKIGDAD-EFKHDTGVVYAD-SPFILSIFTKNSDY------DTISKIAKDVYEVLK 5F83 Chain:A ((5-264)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TFKTDLEKLEREK--AAQIGVAIVDPQGEIVAGHRMAQRFAMGSTFKFPLAALVFERIDSGTERGDRKLSYGPD-------MIVEWSPATERFLASGHMTVLEAAQAAVQLSDNGATNLLLREIGGPAAMTQYFRKIG-DSVSRLDRKEPEMSDNTPGDLRDTTTPIAMARTVAKVLYGGALTSTSTHTIERWLIGNQTGDATLRAGFPKDWVVGEKTGTCANGGRNDIGFFKAQERDYAVAVYTTAPKLSAVERDELVASVGQVITQLI-

General information: TITO was launched using: RESULT: Template: 5F83.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 : 1201 -16388 -13.65 -71.25 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -13.65 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_5F83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5F83-query.scw PDB file : Tito_Scwrl_5F83.pdb: