Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLKEPTAEEIKKKRIYAEWGLTDEEYRMIEEDI--LGRMPNYTETGLFSVMWSEHCSYK--------NSKP--------VLRKFPTSGPHVLQGPGEGAGIVD---IGDGLA---------------VVFKAESHNHPSAVEPYEGAATGVGGIIRD--IFSMGARPIALL-----DSLRFGELDNP---------RTKYLLEEVVAG-IGG--YGNCIGIPTVGGEIAFDPCYE--------------GNPLVNAMCVGLIEHKHIQKGQAAGVGNSIMYVGAKTGRDGIHGATFASEEFNQEEEQQRSAVQVGDPFMEKLLLEACLELI-----LHHSDSLIGIQDMGAAGLVSSSAEMASKAGSGLILTLDEVPQRETGMTPYEMMLSESQERMLICVKSGEEEKIQELFQKYDLDAVTIGKVTDDGQYRLY--HQGEEVANLPVDALAEDAPVYHKEMKEPARIVEFQQLAPYQPVIEEPGQVLLD----LLQQPTIASKRSIYETYDSQVQTNTVVR---------PGSDAAVMRVR-GTNKALAMTTDCNARYLYLDPKIGGQIAVAEAARNIIASG-GKPLAITDCLNY----GSPDKPEVFWELSTSADGIAAA----CETLGTPVISGNVSL-----YNETDGQAIYPTPM---IGMVGLIEDHKHITTQEFKKSGD--LIYILGKTFADFDGSELQKM--QLGRIEGVIRNFDLSIEKRNQELVLTAIQNGLIESAHDCSEGGLAIALAESAFKHQLGISVQF----ELSSAQLFAETQSRFVLTVAPENKTRFEEM-----MGDAAVLAGKVTDEAIIEISATDGQIKIETAVARKCWEDAIVCLMK 3UJN Chain:A ((190-990)) ----------------------LAEDEIDYLQEAFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKMIKNTFETTPDYVLSAYKDNAAVMEGSAVGRYFADHNTGRYDFHQEPAHILMKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNLRIPGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTG---YFRTYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIV-VGAKLIVLGGPAMNIGL----------------DFASVQRDNPEMER----RCQEVIDRCWQLGDANPILFIHDVGAGGLSNAMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQLPLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLG---------KTPKMTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTIGDRTV-TGMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLDFAASARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLY------DAVKAVGEELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVEDVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADVR--DVAQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQVDIAALGDDHLAALFNEELGG-VIQVRAEDRDAVEALLAQYGLADCVHYLGQALAGDRFVITANDQTVFSESRTTLRVW---------

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 : 4184 116570 27.86 175.56 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 27.86 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.395

(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: