Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHAVHKDDARAPLLNTESRCRVALIDTSGYASDMNISAFVPQHAMKPYRVLAAMEIVRSLKIDAHCRTVVPPLVKVEELMAYHTDTYLANLGLHSCRSWLWNAETSKVFFSGDCPPVEGLMEHSIATASGTLMGAVLLNSGQVDVAVHWGGGMHHSKCGECSGFCYVNDIVLGILELLKCHDRVLYVDIDMHHGDGVDEAFCTSDRVFTLSLHKFGESFFPGTGHPRDVGYGRGRYYSMNLAVWDGITDFYYLGVFEHALHSIVRRYSPDAIVLQCGADSLAGDRLGLLNLSSFGHGQCVQAVRDLGIPMLALGGGGYTIRNVAKLWAYETSILTGHPLPPNTVLPVAEMPLSGWLFQDSPLLIVAQDRSNHVLPGLHCQRAYQMMTEQIDRHVPHIQPHPRLQKASTAAAAVDKQVEDGTTAVEDFKRQ 4QA5 Chain:A ((14-377)) ---------LVP----------VYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQM------RIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDTFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGFNLANTARCWTYLTGVILGKTLSSE----IPDHEFFTAYGPDYVLEITPSCRPDR-----NEPHRIQQILNYIKGNLKHVV--------------------------------

General information: TITO was launched using: RESULT: Template: 4QA5.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 : 2244 -289109 -128.84 -794.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -128.84 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_4QA5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QA5-query.scw PDB file : Tito_Scwrl_4QA5.pdb: