Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLKEPTAEEIKKKRIYAEWGLTDEEYRMIEE--DILGRMPNYTETGLFSVMWSEHCSYKNSKPVLR----------------KFPTSGPHVLQGPGEGAGIVDI------------------GDGLAVVFKAESHNHPSAVEPYEGAATGVGGIIRDIFSM--GARPIALLDSLRFGELDNP-----------------RTKYLLEEVVAGIGGYGNCIGIPTVGGEIAFDPC-Y----------EGNPLVNAMCVGLIEHKHIQKGQAAGVGNSIMYVGAKTGRDGIHGATFASEEFNQEEEQQRSAVQVGDPFMEKLLLE---ACLELILHHSDSLIGIQDMGAAGLVSSSAEMASKAGSGLILTLDEVPQRETGMTPYEMMLSESQERMLICVKSGEEEKIQELFQKYDLDAVTIGKVTDDGQYRLYHQ--GEEVANLPVDALAEDAPVYHKEMKEPARIVEFQQLAPYQPVIEEPGQVLLDLLQQPTIASKRSIYETYDSQVQTNTVVRP--------GSDAAVMRVRGT-NKALAMTTDCNARYLYLDPKIGGQIAVAEAARNIIASGG---KPLAITDCLNYGSPDKPEVFWELSTSADGI-AAACETLGTPVISGNVSLYNETD--------GQAIYPTPMIGMVGLIEDHKHITTQEFKKSGDLIYIL--GKTFADFDGSELQKMQLGRIEGVIRN-FDLSIEKRNQELVLTAIQNGLIESAHDCSEGGLAIALAESAFKHQLGISVQFE----LSSAQLFAETQSRFVLTVAPENKTRFEEMM---GDA--AVLAGKVTDEAIIEISAT-DGQIKIETAVARKCWEDAIVCLMK 3UJN Chain:A ((174-999)) ------EGRQALIDANLRLGLALAEDEIDYLQEAFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKMIKNTFETTPDYVLSAYKDNAAVMEGSAVGRYFADHNTGRYDFHQEPAHILMKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNLRIPGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFRTYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQK-GEIVVGAKLIVLGGPAMNIGL----------------DFASVQRDNPEMERRCQEVIDRCWQLGDA--NPILFIHDVGAGGLSNAMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQLPLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKTPKMTRDVQTLKAKGDALN--RA---DITIADAVKRVLHLPTVAEKTFLVTIGDRTVTGMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLDFAASARLAVGEALTNIAATQIGDIKRIKLSANWMAAA-GHPGEDAGLYDAVKAVGEELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVEDVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVY-RQLGDKPADVRDVAQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQVDIAALGDDHLAALFNEEL-GGVIQVRAEDRDAVEALLAQYGLADCVHYLGQALAGDRFVITANDQTVFSESRTTLRVWWAETTWQMQ-

General information: TITO was launched using: RESULT: Template: 3UJN.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 : 4455 48973 10.99 69.56 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 10.99 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_3UJN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UJN-query.scw PDB file : Tito_Scwrl_3UJN.pdb: