Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKAKAERKFKKYFAQGLLALPYGQLIEKIVPVLQAPKDSLEIRQIIDRPFSVIMEVVTDEGRSFFVKVYKLRNPEKQRAELEREFAVSRFWFDKFKDDPEHRVIEPIWLDVENLILITRKSEGENLLKLTGRLHLFPAKRVQQRVHRSLSQAGQWLKKFQSFSIVEEVPYVKPPVELTFSFLQDYILIRLQRMVQNPKLDFDEHFQQKIIDYLKSLWQKAGAQSERLTFAHTDFSLSNILAAEDKVTVLDFNKCEINSPYKDLSRFYHQLYLLSF---KPTFQKSVIEEMKA------SFLQGYGAPLAKDH----PMFQIFFIIHQVTHLGKISRFWERGLLENVYNHY-----LVSRVLKDLKQTV----LV----------------------- 4ONQ Chain:A ((7-353)) -------RLPKPMIGFGVPTEPLPAMVRRTLP-----------SQAVGPPFFYYENVAL--------------APKGVWDTISSSL----------------YDIEPEFVDSKYFCAAARKRGYIHNLPVENRFPLFPLAP--RTIHEALPLSKKW---WPSWDPRTKLNCLQTAI--GSAQLTNRIRKAVEDFDGEPPMRVQKFVLDQCRKW-NLVWVGRNKVAP--------------LEPDEVEMLLGFPKNHTRGGGISRTDRYKSLGN-SFQVDTVAYHLSVLKDLFPGGINVLSLFSGIGGGEVALYRLGIPLNTVVSVEKSEVNRDIVRSWWEQTNQRGNLIHFNDVQQLNGDRLEQLIESFGGFDLVIGGSPSLFSSYVRILDLVKSIMS

General information: TITO was launched using: RESULT: Template: 4ONQ.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 : 1363 -81585 -59.86 -289.31 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -59.86 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.202

(partial model without unconserved sides chains): PDB file : Tito_4ONQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4onq-query.scw PDB file : Tito_Scwrl_4ONQ.pdb: