Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLQAQLQSLKEATLVKITAAQDLNELNQIRVETLGKKGPITEVLRGMKDLSPEERPKVGSFANEIRDLLTEEIERKKQVLEEEALNAALAKETIDVTLPGRKVKHGTRHIVTQIMEEIEDIFVGMGYQIVEGYEVESDHYNFERMNLPKDHPARDMQDTFYISDEILIRTHTSPVQARTMEKHDFSKGALRMISPGKVFRRDTDDATHSHQFHQIEGLVVDKNITMGDLKGTLEVVMKKMFGKDREIRLRPSYFPFTEPSVEVDVSCFKCGGAGCNVCKYTGWIEILGAGMVHPNVLKMSGIDPEEYSGFAFGLGPDRVAMLRYGVNDIRNFYQNDLRFLSQFKGE 3PCO Chain:C ((5-327)) -------AELVASAKAAISQASDVAALDNVRVEYLGKKGHLTLQMTTLRELPPEERPAAGAVINEAKEQVQQALNARKAELESAALNARLAAETIDVSLPGRRIENGGLHPVTRTIDRIESFFGELGFTVATGPEIEDDYHNFDALNIPGHHPARADHDTFWFDTTRLLRTQTSGVQIRTMKAQ---QPPIRIIAPGRVYRND-YDQTHTPMFHQMEGLIVDTNISFTNLKGTLHDFLRNFFEEDLQIRFRPSYFPFTEPSAEVDVMG-----------KNGKWLEVLGCGMVHPNVLRNVGIDPEVYSGFAFGMGMERLTMLRYGVTDLRSFFENDLRFLKQFK--

General information: TITO was launched using: RESULT: Template: 3PCO.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 : 1364 -116715 -85.57 -361.35 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.84 3D Compatibility (PKB) : -85.57 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_3PCO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PCO-query.scw PDB file : Tito_Scwrl_3PCO.pdb: