Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFSEKWLRSWANPQVSHDELVARLSMVGLEVDADLPVAGAFSGVVVGEVLSTEQHPDADKLRVCQVSNGSETFQVVCGAPNVRAGLKIPFAMIGAELPD-DFKIKKAKLRGVESFGMLCSAKELQISEENAGLLELPADA-PVGQDVRTYLELADYTIEVGLTPNRGDCLSLAGLAREVSAIYDVPLAPVAVDAVAAQHDETRPVELAA----PAACPRYLGRVIRNVDLSRPTPLWMVERLRRSDIRSIDPVVDVTNYVMIELGQPMHAFDLAEINGGVRVRMAEDGEKLVLLDGQEITLRADTLVIA----DHQRALAIAGVMGGEHSGVSDSTRDLFLEAAFFDTIALAGKARSYGLHTDSSHRFERGVDSQLARKAMERATRLILDIVGGEPGPIVEQVSEAHLPKVA-PITLRAERVTQMLGMPLDAAEIVRLLQALELTVVADGEG-QWSVGVPSHRFDISLEVDLIEELARLYGYNRLPVRYPQARLAPNN-------KPEARAALPLLRRLLVARGYQEAITFSFIDPALFELFDPGTQPLTLANPISADMAAMRSSLWPGLVKALQHNLNRQQ-SRVRLFESGLRFVGQLEGLKQEAMLAGAICGKRLPEGWANGRDGVDFFDAKADVEAVLASAGALGDFSFVPGEHPALHPGQTARIEREGRLVGYLGALHPELAKKLDLEQPVFLFELLLAEVVDGHLPKFRELSRFPEVRRDLALLVDQDVPAQDILTQIRAAAGEWLTDLRLFDVYHGKGIDPHRKSLAVGLTWQHPSRTLNDDEVNSTTQNIVTSLEERFNATLRK 1PYS Chain:B ((1-775)) MRVPFSWLKAYVPELESPEVLEERLAGLGFETDRIERVFPIPRGVVFARVL--EAHPIPGTRLKRLVLDAGRTVEVVSGAENARKGIGVALALPGTELPGLGQKVGERVIQGVRSFGMALSPRELGVGEYGGGLLEFPEDALPPGTPLSEAWP-EEVVLDLEVTPNRPDALGLLGLARDLHA-----LGYALVEPEAALKAEALPLPFALKVEDPEGAPHFTLGYAFGLRVA-PSPLWMQRALFAAGMRPINNVVDVTNYVMLERAQPMHAFDLRFVGEGIAVRRAREGERLKTLDGVERTLHPEDLVIAGWRGEESFPLGLAGVMGGAESEVREDTEAIALEVACFDPVSIRKTARRHGLRTEASHRFERGVDPLGQVPAQRRALSLLQALAGAR---VAEALLEAGSPKPPEAIPFRPEYANRLLGTSYPEAEQIAILKRLGCRV--EGEGPTYRVTPPSHRLDLRLEEDLVEEVARIQGYETIPLALPAFFPAPDNRGVEAPYRKEQR-----LREVLSGLGFQEVYTYSFMDPEDARRFRLDPPRLLLLNPLAPEKAALRTHLFPGLVRVLKENLDLDRPERALLFE-----VGRVFREREETHLAGLLFGEGVGLPWAKERLS-GYFLLKGYLEALFARLGL--AFRVEAQAFPFLHPGVSGRVLVEGEEVGFLGALHPEIAQELEL-PPVHLFELRLP-LPDKPL-AFQDPSRHPAAFRDLAVVVPAPTPYGEVEALVREAAGPYLESLALFDLYQGPPLPEGHKSLAFHLRFRHPKRTLRDEEVEEAVSRVAEALRAR-------

General information: TITO was launched using: RESULT: Template: 1PYS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -396291 for 5887 contacts (-67.3/contact) + 2D Compatibility (PS) -79970 + (NN) -14191 + (LL) 2016 1D Compatibility (HY) -52800 + (ID) 15250 Total energy: -556486.0 ( -94.53 by residue) QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_1PYS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PYS-query.scw PDB file : Tito_Scwrl_1PYS.pdb: