Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHAVHKDDARAPLLNTESRCRVALIDTSGYASDMNISAFVPQHAMKPYRVLAAMEIVRSLKIDAHCRTVVPPLVKVEELMAYHTDTYLANLGLHSCRSWLWNAETSKVFFSGDCPPVEGLMEHSIATASGTLMGAVLLNSGQVDVAVHWGGGMHHSKCGECSGFCYVNDIVLGILELLKCHDRVLYVDIDMHHGDGVDEAFCTSDRVFTLSLHKFGESFFPGTGHPRDVGYGRGRYYSMNLAVWDGITDFYYLGVFEHALHSIVRRYSPDAIVLQCGADSLAGDRLGLLNLSSFGHGQCVQAVRDLGIPMLALGGGGYTIRNVAKLWAYETSILTGHPLPPNTVLPVAEMPLSGWLFQDSPLLIVAQDRSNHVLPGLHCQRAYQMMTEQIDRHVPHIQPHPRLQKASTAAAAVDKQVEDGTTAVEDFKRQ 4QA0 Chain:B ((32-327)) -------------------------------------------AKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFFYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTL-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QA0.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 : 1730 -224100 -129.54 -757.09 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -129.54 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_4QA0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QA0-query.scw PDB file : Tito_Scwrl_4QA0.pdb: