Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYIWMP--ETNGVWHWSNGEN--WLQAAS-----LDQLIQDLQIHQGKEAAVFFPSRHAQMLQQTMAKFHYKQLGADGVKYLLEEFVTLPIDHMKVVHHFH-ADQLTVLAVAQGMVETWQHSLALLPTKLVALLPDFLVLPEPQAQQVILCNIGHQLLVRENKWLGNSID--DLGLFLEFQSAETHYQYSGLTAEQLESLEAASSAEQRSEFVYQFQPLDKTKQHPFNVLPKSKGQERTFSNYWKACAAVVLAIIVVQFSYDLLRWVKLKKVADQTAEQAIEQYKYWFGSSSGRVTEQNVRSNFKSRLEVSQQGDTQALSLLSRVGPILMQRQILAQQLNYDASILTMALKTKSADDLQALTQQLNQQGFKAELGNVQADGSGAIGVVKIQ 5TKW Chain:A ((12-186)) -LIVRLAAAQAPLHWQLFAPGEPHHEASGRWPTDDASPFP---ALAEQYPAWVLIPASDCAFHSLTLPAGLRKPP-LQVAPFLLEEQLADDVEATHFALLHRQQAQCEIVAVQRQKMRDWLARCESLSLQPLALTPDVLALPWQ-PPAWSAVQVDEQWLIRHQPWGGMAAENVWLTELLQS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5TKW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 722 -48098 -66.62 -295.08 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -66.62 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_5TKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TKW-query.scw PDB file : Tito_Scwrl_5TKW.pdb: