Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRVLVVDDSAFMRKMISDFLTEEKQIEVIGTARNGEEALKKIELLKPDVITLDVEMPVMNGTDTLRKII---EIYNLPVIMVSSQTEKGKECTINCLEIGAFDFITKPSGSISLD--LYKIKEQLVERVVAAGLSGKRKRPVSQTVRPEPIVRAVVKPELSKPKPGTGRQIVCIGTSTGGPRALQKVIPKLPKDLNAPVVVVQHMPEGFTASLADRLNHLSDIQVKEAKDGEAALNGCVYIAPGGKNISVIKNSEGLQVVLDNHDTPSRHKPSADYLFRSVGKLTDYEKVAVIMTGMGSDGTAGLKDMLTAGNVKAIAESEESCVVYGMPKAAVKAGLIHEIKHVEDIAASITSCVKKERV 3RVP Chain:B ((9-130)) -LKFLVVDDFSTMRRIVRNLL-KELGFNNVEEAEDGVDALNKLQAGGYGFVISDWDMPNMDGLELLKTIRADGAMSALPVLMVTAKAK--KENIIAAAQAGASGYVVKPFTAATLEEKLNKIFEKL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RVP.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 : 581 -83176 -143.16 -710.91 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -143.16 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.666

(partial model without unconserved sides chains): PDB file : Tito_3RVP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RVP-query.scw PDB file : Tito_Scwrl_3RVP.pdb: