Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIVIVGGVAGGMSAATRLRRLMEDAEIVVFEKGPYVSFANCGLPYYLSGEISERENLLVQTPESLSARFCLDVRPNHEVTAIFPENKTVEVVH--EGQKHIEQYDALVLSPGAKPVVPSIPGITEADNVFSIRNVPDIDKVMHALE-KQPKRAVIVGAGFIGLEMAENLKRR-GLEVMVIEQAPHILPTL-DEEMAAFIEKELSHQGVEVITSHAVAGFEDHG--KRLRLDDGRTIPADLVILSIGVRPDNQLAVTAGIELGIRGGILVDERYQTNIPDIYAVGDAIVVKQQITGKDALISLASPANRQGRQVADTISGISRRNQGGIGTAIIRTFGMTAASTGLSERTAKENELSFEVIHVSGKDHASYYPEATDILLKLIFHPETGEIYGAQGVG---AKGVDKRIDILATAIKGHLTIFDLPELELTYAPPFGSAKDPVNMLGYAAMNIAEGLSETVQWHELPTELAKGKILLDVRTAEELEKGKFKEAKHIPLNELRDRLNELDSQQEYIVSCHSGLRSYLAERILKQSGYHVKNLDGAFSLYQTVRPEELIYPNK 3IWA Chain:A ((4-462)) KHVVVIGAVALGPKAACRFKRLDPEAHVTMIDQA-------------------------------------VEALVETRAHAIDRAAHTVEIENLRTGERRTLKYDKLVLALGSKANRPPVEGMD-LAGVTPVTNLDEAEFVQHAISAGEVSKAVIVGGGFIGLEMAVSLADMWGIDTTVVELADQIMPGFTSKSLSQMLRHDLEKNDVVVHTGEKVVRLEGENGKVARVITDKRTLDADLVILAAGVSPNTQLARDAGLELDPRGAIIVDTRMRTSDPDIFAGGDCVTIPNLVTGKPGFFPLGSMANRQGRVIGTNLADGDATFPGAVGSWAVKLFEGSASGAGLTVEGALREGYDAVNVHVEQ-----------IMTLQLVVDRPTRRVLGIQGFSTLGDA-LTARINAVATMLASKPTVEDISNAEVV--------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 : 2352 -30834 -13.11 -79.67 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -13.11 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.580

(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: