Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPAIRRTVTFPEISMERLKSILGAYNGHLKQIEQRLDVKITHRGDVFYIDGEIDAVGRAEALLQRLYEETEASQQISADLLHLLIQSSQTERNFELVGEEMDEHDAPMDVYFQTRKGRINPRGANQKRYVQRIL-----QSDISFGVGPAGTGKTYLAVAAAVDMLERNEIQRILLVRPAVEAGEKLGFLPGDLTQKIDPYLRPLYDALYEMLGFEKVAKLIERQVIEVAPLAYMRGRTLNHSFVILDEAQNTTPEQMKMFLTRLGFGSRAVITGDITQVDLPRGQQSGLAHALRVLENIKEIHITRFHSRDVVRHQLVQKIVEAYEAWDGEQQRLNAEARAERKARQEALIAENDTAADLQHQDA 3UPU Chain:C ((21-200)) ---------------------------------------------------------------------------------------------------------------------MTFDDLTEGQKNAFNIVMKAIKEKKHHVTINGPAGTGATTLTKFIIEALIST-GETGIILAAPTHAAKKILSKLSG-------KEASTIHSILKINPVTY--E---ENVLF----EQKEVPDLAKCRVLICDEVSMYDRKLFKILLSTIPPWCTIIGIGDNKQI-RPVDPGENTAYISPFFTH---KDFYQCELTEVKRSN-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3UPU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 791 28425 35.93 162.43 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : 35.93 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.309

(partial model without unconserved sides chains): PDB file : Tito_3UPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UPU-query.scw PDB file : Tito_Scwrl_3UPU.pdb: