Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGKSKM-TNSNYKLTKEDFNQINKRRLFTFQLGWNYERMQAS--GYLYMILPQLRKMYGD-GTPELKEMMKVHTQFF--NTSPFFHTIIAGFDLAMEEKDGVGSKDAVNGIKTGLM---GPFAPLGDTIFGSLVPAIMGSVAATMAIAGQPWGIFLWIAVAVAYDIFRWKQLEFAYKEGVNLINNMQSTLTALIDAASVLGVFMMGALVATVINFEISYKLPIGEK------MIDFQDILN-----QIFPRLLPAIFTAFIFWLLGKKGMNSTKAIGIIIVLALALSALGHFALGM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5U1T Chain:A ((39-1595)) NNIDLAIEDITTVDHSLNSIYSLLKSHHMWGHINSTVKQHLMIIVKLINNNALGLASSEIIFLFNETNLFQAHSLKNILLADFSTWNDYYLSNLKILALQIILKRKLVDEYLPHILELFSHDKRYLLKDPNLKAHALTKIVLSFFSVTTSCKVLFGLKFLQYIKQFKLPFKKFITVECFSKNLLHKNYLEMGPNKIYLNSFYLSYSMLYDGLDKIMLLDILSYEETTEVQRAIKSKEYCNMSENRLLWSCISVDDLNVILENATNFLQNHISATLKCLVCLWSTIRLEGLP-KNKDILRQFDCTVIYINSNIKSINDESAAALLSELLGVLSEICID----------------------------YKE----PKRLSNIISVLFNASVLFKS---HSFLLKTANLEISNVLISNDSKTSHRTILKFEKFISSAQSAQKKIEIFSCLFNVYCML------RNDT----LSFVFDFCQNAFIHCFTRLKITKFIEFSNSSEIMLSVLYGNSSIENIPSENWSQLSRMIFCSLRGIFDLDPLELNNTFDKLHLLNKYELLIRIVYLLNLDMSKHLTTNLSKITKLYINKWLQKSDEKAERISSFEMDFVKMLLCYLNFNNFDKLSIELSLCIKSKEKYYSSIVPYADNYLLEAYLSLYMIDDALMMKNQLQKTMNLSTAKIEQALLHASSLINVHLWDSDLTAFQIYFGKTLPAMKPELFDINNDHNLPMSLYIKVILLNIKIFNESAKLNIKAGNVISAVIDCRKAQNLALSLLKKKNKLSQGSRLALLKSLSFSFFQLIKIHIRIGSARDCEFYSKELSRIISDLEEPIIVYRCLHFLHRYYMITEQTCLQNITLGKANKAFDYLDAEADITSLTMFLYDNKEFVKLEQSLVLYFGDQLEKTFLPNLWKLHLGKDIDDSICLSEYMPKNVINRVHNMWQKVMSQLEEDPFFKGMFESTLGIPSSLPVIQKFDRIAAISKLKQMKELLESLKLDTLDNHELSKISSLSSLTLTILSNITSIHNAESSLITNFSLTDLPRHMPLLFDKVLNNIDNKNYREFNISTITESIRVSAAQKDLMESNLNINVITIDFCPITGNLLLSKLEPRRKRRTHLRLPLHLSFPEATKKLLSIINESNQTTSVEVTNKIKTREERKSWWTTRYDLDKRMQQLLNNIENSWFNGVQGFFSPEVVDNSLFEKFKDKFYEILHQNLPSRKLYGNPAMFIKVEDWVIELFLKLNPQEIDFLSKMEDLIYFVLDILLFHGEENAYDEIDFSMLHVQLEEQIKKYRATMTTNSIFHTFLVVSSSCHLFPWECLSFLKDLSITRVPSYVCLNKLLSRFHYQLPLQVTIEDNISMILNPNGDLSRTESKFKGMFQKIIDAKPSSQLVMNEKPEEETLLKMLQNSNLFVYIGHGGGEQYVRSKEIKKCTKIAPSFLLGCSSAAMKYYGKLEPTGTIYTYLLGGCPMVLGNLWDVTDKDIDKFSEELFEKMGFRCNTNGNSLSVSYAVSKSRGVCHLRYLNGAAPVIYGLPIKFV

General information: TITO was launched using: RESULT: Template: 5U1T.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 : 915 -45382 -49.60 -197.31 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -49.60 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.306

(partial model without unconserved sides chains): PDB file : Tito_5U1T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U1T-query.scw PDB file : Tito_Scwrl_5U1T.pdb: