Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTLIAALQNPALYPHPVERFEVIETHISWVLLT---G-PYAYKIKKPMDFGFLDFTSLDKRRFYCNEELRLNQRLTDDLYL-EVLPITGSEEAPRIGGDGEAIEYLLKMRQFPQDNLLAAIQGRGELSNQHIDELAEQIAHFHQNTPKVPLEHPLGTAESCMAPVRQNFEQVRPLLK--------DKAD---LQQLDALEAWAESSFERLLP-----VL-QERKAKGFIRECHGDIHLGNAALID-GRVVLFDCIEFNEPFRFTDVCADFAFLAMDLEDRG--LKCHARRFVSLYLEHTGD-YQALELLNFYKAYRAMVRAKVALFSLGYQTDAVQRAATLRQYRNYANLAESYSAIPSRFLAVTHGVSAVGKSQVAMRLVEALGAVRLRSDIERKRLFGEQPEHDRGQFAAGIYSSQASEATYAHLHQLAAKILQAGYPVVIDAAYLKQNQRQAACHIAEETGVPFLILDCQAPEAVIAGWLAQRQAEGKDPSDATLDVIRTQQATREPLTAAETVQSKRVDTHDAASLDGLVDGIRQRLPGL 4PDY Chain:A ((29-306)) ------------SKYDLAIQQR---HADGNIEVWTDSKGRRYAAKRSSIA-------------PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRH---GDFTYY-VTEWVSGQPAN------FGLPEHVAQTAYTLAQFHEATRSFRTDWK----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGG---WCHLDVIPSNCLYTPQHQVVLIDFELARPAPRA----LDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPW--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 997 21051 21.11 85.22 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 21.11 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.178

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: