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 3UGJ Chain:A ((190-992)) ----------------------LAEDEIDYLQEAFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKMIKNTFETTPDYVLSAYKDNAAVMEGSAVGRYFADHNTGRYDFHQEPAHILMKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNLRIPGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTG---YFRTYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIV-VGAKLIVLGGPAMNIGL----------------DFASVQRDNPEMER----RCQEVIDRCWQLGDANPILFIHDVGAGGLSNAMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQLPLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLG---------KTPKMTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTIGDRTV-TGMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLDFAASARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLY------DAVKAVGEELCPQLGLTIPVGKDSMSMKTRWQEG--QREMTSPLSLVISAFARVEDVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADVR--DVAQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQVDIAALGDDHLAALFNEELGG-VIQVRAEDRDAVEALLAQYGLADCVHYLGQALAGDRFVITANDQTVFSESRTTLRVW---------

General information: TITO was launched using: RESULT: Template: 3UGJ.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 : 4269 112173 26.28 168.93 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 26.28 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_3UGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UGJ-query.scw PDB file : Tito_Scwrl_3UGJ.pdb: