Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MVTVREQLPEQLTELSEETTVEHAAETQVGLASWLDRVREILDGAELKQLEEVAHLTLQKELDSTVNHRSNTFATGVGMADILAHLHVDEDTLSAAMLYRSVREDITDIEEVKRKFGEQVYNLVKGTLAMGKLSELIEKNKRLEDHFNNNQREHLSGIYKMLISVTEDVRVVLIKLAERTYSLRELANSSRERQERVAREILTIYSPLAHRLGIAQLKWE--LEDLAFRYLAPDRYKEIASLLNEKRLER------------EHYIQFVIDRLKSELAAHGIEAEITGRAKHIYSIYRKMKSKNLSFDQLYDIRALRVLVNSVPECYHSLGIVHQIWRHI--PHQFDDYITNP--KANGYRSLHTAVIAENKSLEVQIRTHEMHDEAELGVCSHFNYKEGSKNTDHSFNHRLHSLRAVLEHYQERNETTVHQNEDETEGFDQL-QDF---EGFEKIYVFS-RDGDIKELPRGSTVLDFAYHVHTEVGNKCYAARVNQRYVPLTYTLKTGEQVEILTKKDREPNRDWLVNSLGYIKTARARDKLRHWFRQQDRSKNLEVGRELLNKELSRLAIHPKSIDLNDYS--SHFNVKTGDDILVSLVSGDISLHALINQINRQMHLDQDEPELVLKPTLNPRASHTLSAHGILIDGLDNVELHIAQCCQPVHGESIAGYITLNRGVSIHKVLCSDYQRMIKQEPERAVEADWEMQPTRGQSVQIVVEAYDRRGLLKDLTQVIFSDQINIRQVNTISEADGIANMKLLIEVKGLAQLSRLLARLEQQPGIISARRMIQGV--- 4BS9 Chain:A ((3-781)) PTALQIKPHFHVEIIEPKQVYLLGEQGNHALTGQLYCQILPFLNG--------------EYTREQIVEKLDGQVPEEYIDFVLSRLVEKGYLTEVAPELSLEVAAFWSELGIAPSVVAEGLKQ-------PVTVTTAGKGIREGIVAN--LAAALEEAGIQVSDPTAQLQVVLTDD------------YLQPELAAINKEALERQQPWLLVKPVGSILWLGPLFVPGETGCWHCLAQRLQGNREVEASVLQQKRALQERPTARATLPSTLQTGLQWAATEIAKWMVKRHLNAIAPGTAR-----FPTLAGKIFTFNQ-TTLELKAHPLSRRPQC-PTCGDRETLQRRGFEPLKLESRPKHPEQTVQKYQHLIGPITGVVTEL-VRSRASGLCEAIERYSGIFQGDEPRKRATLAELGDLAIHPEQCLHFSDRQYDNRESSNERATVTHDWIPQRFDASKAHDWTPVWSLTEQTHKYLP--TALCYYRYPFPPE-----------HRFCR---SDSNGNAAG---------NTLEEAILQGFMELVE-RDSVCLWWYNR----------------VSRPAVDLSSFDEPYFLQLQQFYQTQNRDLWVLDLTADLGIPAFVGVSNRKAG-SSERIILGFGAHLDPTVAILRALTEVNQIGLELDATDWLVN------ATLAASPYLVADASQPLKTAKDYPRRWSDDIYTDVMTCVEIAKQAGLETLVLDQ--TRPDIGLNVVKVI------------------VPGMRFW-SRFGSGRLYDVPVKLGWREQPLAEAQMNPTPMPF

General information: TITO was launched using: RESULT: Template: 4BS9.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 : 3277 50928 15.54 77.75 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 15.54 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.152

(partial model without unconserved sides chains): PDB file : Tito_4BS9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BS9-query.scw PDB file : Tito_Scwrl_4BS9.pdb: