Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MFGKKQVLASVLLI------PLLMTGCGVADQGEGRRDNNDVRNVNYRNPAND------DMRNVNNRDNVDNN------------VNDNVNNNRVNDDNN-----NDRKLEVADEAADKVTDLKEVK---------------HADIIVAGNQAYVA--------------------VVLTNGNKGAVENNLKKKIAKKVRST---DKNIDNVYV---SANPDFVERMQGYGKRIQNG-DPIAGLFDEFTQTVQRVFPNAE--------- 2VDW Chain:B ((1-287)) MDEIVKNIREGTHVLLPFYETLPELNLSLGKSPLPSLEYGANYFLQISRVNDLNRMPTDMLKLFTHDIMLPESDLDKVYEILKINSVKYYGRSTKADAVVADLSARNKLFKRERDAIKSTENNLYISDYKMLTFDVFRPLFDFVNEKYCIIKLPTLFGRGVIDTMRIYCSLFKNVRLLKCVSDSWLKDSAIMVASDVCKKNLDLFMSHVKSVTKSSSWKDVNSVQFSILNNPVDTEFINKFLEFSNRVYEALYYVHSLLYSSMTSDSKSIENKHQRRLVKLLL

General information: TITO was launched using: RESULT: Template: 2VDW.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 : 604 -47065 -77.92 -249.02 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -77.92 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.223

(partial model without unconserved sides chains): PDB file : Tito_2VDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VDW-query.scw PDB file : Tito_Scwrl_2VDW.pdb: