Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHAVHKDDARAPLLNTESRCRVALIDTSGYASDMNISAFVPQHAMKPYRVLAAMEIVRSLKIDAHCRTVVPPLVKVEELMAYHTDTYLANLGLHSCRSWLWNAETSKVFFSGDCPPVEGLMEHSIATASGTLMGAVLLNSGQVDVAVHWGGGMHHSKCGECSGFCYVNDIVLGILELLKCHDRVLYVDIDMHHGDGVDEAFCTSDRVFTLSLHKFGESFFPGTGHPRDVGYGRGRYYSMNLAVWDGITDFYYLGVFEHALHSIVRRYSPDAIVLQCGADSLAGDRLGLLNLSSFGHGQCVQAVRDLGIPMLALGGGGYTIRNVAKLWAYETSILTGHPLPPNTVLPVAEMPLSGWLFQDSPLLIVAQDRSNHVLPGLHCQRAYQMMTEQIDRHVPHIQPHPRLQKASTAAAAVDKQVEDGTTAVEDFKRQ 4RN1 Chain:B ((32-327)) -------------------------------------------AKIPKRADMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQ----DHPDSIEYGLG--CPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTL-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RN1.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 : 1677 -216795 -129.28 -747.57 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -129.28 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_4RN1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RN1-query.scw PDB file : Tito_Scwrl_4RN1.pdb: