Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQEELTIHKALPADGDWKSLLFQPLPERDHYETAQGLSFSRLAGQILGTPI---DETDYYNELYE--LSVNDRITILSETLDKTIEPE-TFQKLQHIHSINQKEKGLSVSRFVAFLDGEKLIAKHS----NPLMHRHLRKAL---MTLLHTFADSH-------EKGLNHPDFRRVLLDVSKF--SLNHLNPWLEKTDIEREMPKVVWYGDATKSQLYFLYYLMLVGCDVLLFHPAGTDQLALVDPKQELGFTEKLPDVSELQPFPKEKPDRKSTVAYRSTK------EIEHVLNHEESMLYKPWQFRDHTPVSVTLKTTYDELFLITKERAF--------IRPNFKADKHSIEIPNVFAKIMGVSKDNKEYWNRLHTL----------------ADYQETEMVRSFPFTEEIKSNYQFH-----YSHALDQEGNIDPDKLMASNVWQYKQLPAGVQTAI-AKTISRMCRYPRLKALHQEQVKDVQIYLFKQTTNLPANLLKLIQMFDYAQTVPKLVLY-------------HTEMSGGLTRSDAAALLFLNEIGIDIIIYNPP------GHQDIEQFIEEDQ------YDIHWLDDMVFQQ----DYKEPSLVKRLFRTITQK---------------------- 4X0Q Chain:A ((6-772)) ----SLSIID-VASDQNLFQTFIKEWRCKKRFSISLACEKIRDDTLVVGLAVCWGGRDAYYFSLLDPSLTLKDRMWYLQSCLRKESDKECSVVIYDFIQSYKILLLSCGISLEQSYEDPKVACWLLDPDSQEPTLHSIVTSFLPHELPLLEGMETSQGIQSLGLNAGSEHSGRYRASVESILIFNSMNQLNSLLQKENLQDVFRKV------EMPSQYCLALLELNG--IGFSTAECESQKHIMQAKLDAIETQAYQLAG--HSFSFTSSDDIAEVLFLELKLPPQFSTSKDVLNKLKALHPLPGLILEWRRITNAITKV---VFPLQREKCLNPFLGMERIYPVSQSHTATGRITFTEPNIQNVPRDFEIKMGMPFSISMRHAFVPFPGGSILAADYSQLELRILAHLSHDRRLIQVLNTGADVFRSIAAEWKMIEPESVGDDLRQQAKQICYGIIYGMGAKSLGEQMGIKENDAACYIDSFKSR---YTGINQFMTETVKNCKRDGFVQTILGRRRYLPGIKDNNPYRKAHAERQAINTIVQGSAADIVKIATVNIQKQLETFHSTFKSHGHREGMLQSDCPIRGGFFILQLHDELLYEVAEEDVVQVAQIVKNEMESAVKLSVKLKVKVKIGASWGELKDFDV

General information: TITO was launched using: RESULT: Template: 4X0Q.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 : 2173 -159084 -73.21 -308.30 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -73.21 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.147

(partial model without unconserved sides chains): PDB file : Tito_4X0Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X0Q-query.scw PDB file : Tito_Scwrl_4X0Q.pdb: