Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDRIERAAAFIKQNLPESPKIGLILGSGLGILADEIENPVKLKYEDIPEFPVSTVEGHAGQLVLGTLEGVSVIAMQGRFHFYEGYSMEKVTFPVRVMKALGVEALIVTNAAGGVNTEFRAGDLMIITDHIN---FMGTNPLIGPNEADFGARFPDMSSAYDKDLSSLAEKIAKDLNIP--IQKGVYTAVTGPSYETPAEVRFLRTMGSDAVGMSTVPEVIVANHAGMRVLGISCISNAAAGILDQPLSHDEVMEVTEKVKAGFLKLVKAIVAQYE 3KHS Chain:B ((5-278)) --DLAKETAAWLNKQLQIRPVLGIVCGSGLGKIGDSLETSITVAYSDIPNFPVG-----AGSLIFGSVNGVSCVCMKGRFHLYEGHTAARATFPMRVFKALGVKIVVLTNAAGGLNPSYRPGDFMVVRDHINLPGLAGANPLTGPNDDTEGERFPSMTSVYDKTLRKYAISAARELGMSYATHEGVYCCVNGPSFETPAECKILRLMGSDAVGMSTAPETIVAKHGGMRCLAVSLISNVIASNCE------EVLRAGEEASARMTALVKLVIEK--

General information: TITO was launched using: RESULT: Template: 3KHS.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 : 1415 -120912 -85.45 -472.31 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -85.45 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_3KHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KHS-query.scw PDB file : Tito_Scwrl_3KHS.pdb: