Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELQLALDLVNIPEAIELVKEVEQYIDVVEIGTPVVINEGLRAVKEIKEAFPQLKVLADLKIMDAGGYEIMKASEAGADIITVLGATDDATIKGAVEEAKKQKKKILVDMINVKDIESRAKEIDALGVDYICVHTGYDLQAEGKNSFE-ELTTIKN-TVKNAKTAIAGGIKLDTLPEVIQQKPDLVIVGGGITSAADKAETASKMKQLIVQG 1XBY Chain:B ((6-213)) --LQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGDVQIDLTGYWTWEQAQQWRDA-GIGQVVYHRSRDAQAAGVAWGEADITAIKRLSDMGFKVTVAGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAE-

General information: TITO was launched using: RESULT: Template: 1XBY.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 : 1111 -122996 -110.71 -597.07 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -110.71 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_1XBY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XBY-query.scw PDB file : Tito_Scwrl_1XBY.pdb: