Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHLHILGICGTFMGSLALLARDLGHKVTGSDSNVYPPMSTQLENAGIELMQGYDRSHLQPHPDLVIVGNAMKRGIDAVEYMLNEGLPYISGPQFLADHVLQGKHVLGVAGTHGKTTTTTMLAWVLDQAGLNPGFLIGGVPLGFSESARLGGGKYFVVEADEYDSAFFDKRSKFVHYHPKTAILNNLEFDHADIF-DDLAAIQKQFHHLVRTIPSEGRIIAPITETHIDEVLEMGCWTPVIRTSLEANEKAALSAELISIDGSH--FKVLENGNVIGEVKWSMTGQHSVANALATIAAAQHVGVSLEKACEALSNFGGVKRRMELLGTVNGIEVYDDFAHHPTAIDTTLDGARKRLGERRLWAIIEPRSNTMRMGSHKDGLAHSARLADEVIWYQPEGLDWDLQPVIEAATNHAQVSRSLDEIIDRIVNEAGEGDAVVIMSNGGFGGLHQKLMSALKAKAA 5VVW Chain:C ((13-312)) ----FVGIGGAGMCGIAEVLLNLGYEVSGSDLKA-SAVTERLEKFGAQIFIGHQAENAD-GADVLVVSSAINRANPEVASALERRIPVVPRAEMLAE-LMRYRHGIAVAGTHGKTTTTSLIASVFAAGGLDPTFVIGGRLNAAGTNAQLGASRYLVAEADESDASFL-------HLQPMVAVVTNIDADHMATYGGDFNKLKKTFVEFLHNLPFYGLAVMCVDDPVVREILPQ-IARPTVTYGL--SEDADVRAINIRQEGMRTWFTVLRPEREPLDVSVNMPGLHNVLNSLATIVIATDEGISDEAIVQGLSGFQG-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5VVW.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 : 1660 -127854 -77.02 -430.48 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -77.02 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_5VVW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VVW-query.scw PDB file : Tito_Scwrl_5VVW.pdb: