Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIE---SILGRLPNYTEIGIFSVMWSEHCSYK--------NSKP--------ILRKFPTSGERVLQGPGEGAGIVD-------IGDNQA-----------VVFKIESHNHPSALEPYQGAATGVGGIIRD--VFSMGARPIAVLNSLRFGELTSPRVKYLFEE--------VVA---------GIAGYGNCIGIPTVGGEVQFD----SSYEG-------NPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKL---LLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRL--THKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFL-ETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDY----MVRTNTVVAPG----SDAGVLRIR-GTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLA-VTDNLNF----GNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSL-----YNESNGTAIYPTP---VIGMVGLIEDTAHITTQHFKQAGDLVYVI--GETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGF----VQSAHDVSEGGLGVAIAESVMTTENLGANVTV----EGEAALLFSESQSRFVVSVKKEHQAAFEAT-----VKDAVH-IGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA 3UMM Chain:A ((171-990)) ---LLGEGRQALIDANLRLGLALAEDEIDYLQEAFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKMIKNTFETTPDYVLSAYKDNAAVMEGSAVGRYFADHNTGRYDFHQEPAHILMKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNLRIPGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFRTYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIV-VGAKLIVLGGPAMNIG-----------------DFASVQRDNPEMERRCQEVIDRCWQLGDANPILFIHDVGAGGLSNAMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQLPLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKTPKMTRDVQTLKAKGDALNRADI---TIADA---VKRVLHLPTVAEKTFLVTIGDRTVTGMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLDFAASARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLYDAVKAVG--EELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVEDVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVY--RQLGDKPADVRDV--AQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAG-HCGVQVDIAALGDDHLAALFNEELGG-VIQVRAEDRDAVEALLAQYGLADCVHYLGQALAGDRFVITAND--QTVFSESRTTLRVW------------

General information: TITO was launched using: RESULT: Template: 3UMM.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 : 4245 -278530 -65.61 -403.08 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -65.61 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_3UMM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UMM-query.scw PDB file : Tito_Scwrl_3UMM.pdb: