Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIVIVGGVAGGMSAATRLRRLMEDAEIVVFEKGPYVSFANCGLPYYLSGEISERENLLVQTPESLSARFCLDVRPNHEVTAIFPENKTVEV--VHEGQKHIEQYDALVLSPGAKPVVPSIPGITEADNVFSIRNVPDIDKVMHALEK-QPKRAVIVGAGFIGLEMAENL-KRRGLEVMVIEQAPHILPTL-DEEMAAFIEKELSHQGVEVITSHAVAGFE-DHGKRLR-LDDGRTIPADLVILSIGVRPDNQLAVTAGIELGIRGGILVDERYQTNIPDIYAVGDAIVVKQQITGKDALISLASPANRQGRQVADTISGISRRNQGGIGTAIIRTFGMTAASTGLSERTAKENELSFEVIHVSGKDHASYYPEATDILLKLIFHPETGEIYGAQGVGAKG--VDKRIDILATAIKGHLTIFDLPELELTYAPPFGSAKDPVNMLGYAAMNIAEGLSETVQWHELPTELAKGKILLDVRTAEELEKGKFKEAKHIPLNELRDRLNELDSQQEYIVSCHSGLRSYLAERILKQSGYHVKNLDGAFSLYQTVRPEELIYPNK 3IWA Chain:A ((6-462)) --VVVIGAVALGPKAACRFKRLDPEAHVTMIDQA-------------------------------------VEALVETRAHAIDRAAHTVEIENLRTGERRTLKYDKLVLALGSKANRPPVEGMDLA-GVTPVTNLDEAEFVQHAISAGEVSKAVIVGGGFIGLEMAVSLADMWGIDTTVVELADQIMPGFTSKSLSQMLRHDLEKNDVVVHTGEKVVRLEGENGKVARVITDKRTLDADLVILAAGVSPNTQLARDAGLELDPRGAIIVDTRMRTSDPDIFAGGDCVTIPNLVTGKPGFFPLGSMANRQGRVIGTNLADGDATFPGAVGSWAVKLFEGSASGAGLTVEGALREGYDAVNVHVEQ-----------IMTLQLVVDRPTRRVLGIQGFSTLGDALTARINAVATMLASKPTVEDISNAEVV--------MDIVNVAGNVADNVLA----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IWA.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 : 2345 -20801 -8.87 -53.89 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -8.87 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_3IWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IWA-query.scw PDB file : Tito_Scwrl_3IWA.pdb: