Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHAVHKDDARAPLLNTESRCRVALIDTSGYASDMNISAFVPQHAMKPYRVLAAMEIVRSLKIDAHCRTVVPPLVKVEELMAYHTDTYLANL-GLHSCRSWLWNAETSKVFFSGDCPPVEGLMEHSIATASGTLMGAVLLNSGQVDVAVHWGGGMHHSKCGECSGFCYVNDIVLGILELLKCHDRVLYVDIDMHHGDGVDEAFCTSDRVFTLSLHKFGESFFPGTGHPRDVGYGRGRYYSMNLAVWDGITDFYYLGVFEHALHSIVRRYSPDAIVLQCGADSLAGDRLGLLNLSSFGHGQCVQAVRDLGIPMLALGGGGYTIRNVAKLWAYETSILTGHPLPPNTVLPVAEMPLSGWLFQDSP---LLIVAQDRSNHVLPGLHCQRAYQMMTEQIDRHVPHIQPHPRLQKASTAAAAVDKQVEDGTTAVEDFKRQ 4LY1 Chain:C ((9-367)) -----------------------------YDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGE-YFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALDCEIP-------NELPYNDYFEYFGPDFKLHISPSNMTNQNTPE-YMEKIKQRLFENL-RML------------------------------------

General information: TITO was launched using: RESULT: Template: 4LY1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2169 -120270 -55.45 -338.79 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -55.45 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_4LY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LY1-query.scw PDB file : Tito_Scwrl_4LY1.pdb: