Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYIWMPETNGVWHWSNGENWLQAASLDQLIQDLQIHQGKEAAVFFPSRHAQMLQQTMAKFHYKQLGADGVKYLLEEFVTLPID--HMKVVHHFHADQLTVLAVAQGMVETWQHSLALLPTKLVALLPDFLVLP-EPQAQQVILCNIGHQLLVRENKWLGNSIDDLGLFLEFQS-AETHYQYSGLTAEQLESLEAASSAEQRSEFVYQFQPLDKTKQHPFNVLPKSKGQERTFSNYWKACAAVVLAIIVVQFSYDLLRWVKLKKVADQTAEQAIEQYKYWFGSSSGRVTEQNVRSNFKSRLEVSQQGDTQALSLLSRVGPILMQRQILAQQLNYDASILTMALKTKSADDLQALTQQLNQQGFKAELGNVQADGSGAIGVVKIQ 5TKW Chain:A ((86-191)) ----------------------------------------------------------------------APFLLEEQLADDVEATHFALLHRQQA-QCEIVAVQRQKMRDWLARCESLSLQPLALTPDVLALPWQPPAWSAV--QVDEQWLIRHQPWGGMAAENVWLTELLQSEAEEH-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 299 -8264 -27.64 -81.02 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -27.64 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.210

(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: