Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLQAQLQSLKEATLVKITAAQDLNELNQIRVETLGKKGPITEVLRGMKDLSPEERPKVGSFANEIRDLLTEEIERKKQVLEEEALNAALAKETIDVTLPGRKVKHGTRHIVTQIMEEIEDIFVGMGYQIVEGYEVESDHYNFERMNLPKDHPARDMQDTFYISDEILIRTHTSPVQARTMEKHDFSKGALRMISPGKVFRRDTDDATHSHQFHQIEGLVVDKNITMGDLKGTLEVVMKKMFGKDREIRLRPSYFPFTEPSVEVDVSCFKCGGAGCNVCKYTGWIEILGAGMVHPNVLKMSGIDPEEYSGFAFGLGPDRVAMLRYGVNDIRNFYQNDLRFLSQFKGE 2RHS Chain:C ((33-288)) -----------------------------------------------------------------------------------------LAEETIDVTLPSRQISIGSKHPLTRTVEEIEDLFLGLGYEIVDGYEVEQDYYNFEALNLPKSHPARDMQDSFYITDEILMRTHTSPVQARTMEKRN-GQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNIKMSDLKGTLELVAKKLFGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMAGFDSNEYSGFAFGMGPDRIAMLKYGIEDIRYFYTNDVRFLEQFKA-

General information: TITO was launched using: RESULT: Template: 2RHS.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 : 1259 -119934 -95.26 -468.49 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.86 3D Compatibility (PKB) : -95.26 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_2RHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RHS-query.scw PDB file : Tito_Scwrl_2RHS.pdb: