Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLTFERNLLLKNKVNFLFPLLLVVLFAFPLFFDHKLAYTEFDELNHNYEEMQRLIETLKEDENEKEFVESLEKSNKLIEAILHAKNTGNVQQMVEATYHYEKDILDRLISGQRQGIPIIEQQKRVELLRYMKEHQIQRYSIFDLPAHLSLANYYENIFSGMISSFLILCITALFLSSIISYEKRKQVISLVNLLPDSMVKKHSIRFTIYYGAAMLSLVMPFLIVSILVIIKNGLGDFRYPVGTIIGQEIRILPMYEYLFQSFLFLLLWVLFLSTISFLLSALFEHSLVNLLGT----LLCLFLAE--YRLFSSI-GWIESISH-YLPTSYVDFQNVI------IGGDIFSPLASEQVTFMNGILTLGIWSIVLLFIGMGTIYIKKSY 5XJY Chain:A ((673-1115)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAVIIKGIVYEKEARLKETMRIMGLDNSILWFSWFISS-LIPLLVSAGLLVVILKLGNLLPY-------------SD---------PSVVFVFLSVFAVVTILQCFLISTLFSRANLAAACGGIIYFTLYLPYVLCVAWQDYVGFTLKIFASLLSPVAFGFGCEYFALFEEQ----------------GFNLTTSVSMMLFDTFLYGVMTWYI---

General information: TITO was launched using: RESULT: Template: 5XJY.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 : 505 -94432 -186.99 -590.20 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -186.99 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_5XJY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5XJY-query.scw PDB file : Tito_Scwrl_5XJY.pdb: