Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLSEMLQETTQFILDKGVKEIDFGLILGSGLGELADEIEDAVMISYDEIPFFPVSTVVGHAGKLVYGSLAGKKVLAMQGRFHYYEGHSMQTVTYPVRVMAGLGAHSVIVTNACGGVNESFVPGDLMLITDHINFT---GENPLIGPNEDAMGPRFPDMSQAYTPDYQATAKAAAEKLGLD--LKEGVYMGYSGPTYETPAEIRMSRTIGADAVGMSTVPEVIVAAHSGLKVLGISCITNLAAGMQ-ANLSHEEVVETTQRVKQSFKALVKETLTLL 3KHS Chain:B ((2-279)) --TDYDLAKETAAWLNKQLQIRPVLGIVCGSGLGKIGDSLETSITVAYSDIPNFPVG-----AGSLIFGSVNGVSCVCMKGRFHLYEGHTAARATFPMRVFKALGVKIVVLTNAAGGLNPSYRPGDFMVVRDHINLPGLAGANPLTGPNDDTEGERFPSMTSVYDKTLRKYAISAARELGMSYATHEGVYCCVNGPSFETPAECKILRLMGSDAVGMSTAPETIVAKHGGMRCLAVSLISNVIASNCE------EVLRAGEEASARMTALVKLVIEKI

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 : 1447 -125869 -86.99 -485.98 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -86.99 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.582

(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: