Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFFDKIKRAFTGEEKTEEVEVQEKYDKGLEKTRKTFGERMNELFANFRTVDEDFFEELEETLIGADVGFETAIRITEALRQEVKLRNAKKSAEVQNAIIEKLVDLYEAEGINEVNELNIQEDGLTVILFVGVNGVGKTTSIGKLAHQFKNEGKKVLMAAADTFRAGAIDQLVVWGER---AGVEVVRGNAG-GDPAAVVFDALERAKTEQADVLLVDTAGRLQNKVNLMNELEKIKRVIQRELPEAPQETLLVLDATTGQNAMVQAKQFKETTDVTGLVLTKLDGTAKGGIVLAIRNELHLPVKLVGLGEGIDDLEPFDPNDFVVGLFKGLLKEE 1ZU4 Chain:A ((7-313)) -------------------------MEKAMLKSAFNFSKDIKKLSKKYKQADDEFFEELEDVLIQTDMGMKMVLKVSNLVRKKTKRDT--SFENIKDALVESLYQAYTDNDW---YRIDFKENRLNIFMLVGVNGTGKTTSLAKMANYYAELGYKVLIAAADTFRAGATQQLEEWIKTRLNNKVDLVKANKLNADPASVVFDAIKKAKEQNYDLLLIDTAGRLQNKTNLMAELEKMNKIIQQVEKSAPHEVLLVIDATTGQNGVIQAEEFSKVADVSGIILTKMDSTSKGGIGLAIKELLNIPIKMIGVGEKVDDLLAFDIDQYIVHLSSGFM---

General information: TITO was launched using: RESULT: Template: 1ZU4.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 : 1614 -62540 -38.75 -209.16 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -38.75 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.649

(partial model without unconserved sides chains): PDB file : Tito_1ZU4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ZU4-query.scw PDB file : Tito_Scwrl_1ZU4.pdb: