Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRVLVVDDSAFMRKMISDFLTEEKQIEVIGTARNGEEALKKIELLKPDVITLDVEMPVMNGTDTLRKII---EIYNLPVIMVSSQTEKGKECTINCLEIGAFDFITKPSGSISLD--LYKIKEQLVERVVAAGLSGKRKRPVSQTVRPEPIVRAVVKPELSKPKPGTGRQIVCIGTSTGGPRALQKVIPKLPKDLNAPVVVVQHMPEGFTASLADRLNHLSDIQVKEAKDGEAALNGCVYIAPGGKNISVIKNSEGLQVVLDNHDTPSRHKPSADYLFRSVGKLTDYEKVAVIMTGMGSDGTAGLKDMLTAGNVKAIAESEESCVVYGMPKAAVKAGLIHEIKHVEDIAASITSCVKKERV 5DGC Chain:B ((5-126)) -LKFLVVDDQSTMRRIVRNLL-KELGFNNVEEAEDGVDALNKLQAGGYGFVISDWKMPNMDGLELLKTIRADGAMSALPVLMVTAYAK--KENIIAAAQAGASGYVVKPFTAATLEEKLNKIFEKL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5DGC.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 : 573 -83136 -145.09 -710.56 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -145.09 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.685

(partial model without unconserved sides chains): PDB file : Tito_5DGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DGC-query.scw PDB file : Tito_Scwrl_5DGC.pdb: