Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MIRVLVVDDSAFMRKMISDFLTEEKQIEVIGTARNGEEALKKIE-LLKPDVITLDVEMPVMNGTDTLRKIIEI-YNLPVIMVSSQTEKGKECTINCLEIGAFDFITKPSGSISLDLYKIKEQLVERVVAAGLSGKRKRPVSQTVRPEPIVRAVVKPELSKPKPGTGRQIVCIGTSTGGPRALQKVIPKLPKDLNAPVVVVQHMPEGFTASLADRLNHLSDIQVKEAKDGEAALNGCVYIAPGGKNISVIKNSEGLQVVLDNHDTPSRHKPSADYLFRSVGKLTDYEKVAVIMTGMGSDGTAGLKDMLTAGNVKAIAESEESCVVYGMPKAAVKAGLIHEIKHVEDIAASITSCVKKERV 1A2O Chain:A ((1-133)) MSKIRVLSVDDSALMRQIMTEIINSHSDMEMVATAPDPLVARDLIKK-FNPDVLTLDVEMPRMDGLDFLEKLMRLR-PMPVVMVSSLTGKGSEVTLRALELGAIDFVTKPQLGIREGMLAYSEMIAEKVRTAARA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1A2O.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 : 623 -96312 -154.59 -746.60 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -154.59 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_1A2O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A2O-query.scw PDB file : Tito_Scwrl_1A2O.pdb: