Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------MIQFDQVSLRRGGRVLFQKASMQLH------PGWKIGLTGVNGAGKSTLFAALLGSLGADEGSLTRPSVWTVAHMAQEVKALDMPAIDFVLSGD--EEYWDIQNKLAQPEQLTDSDLAKLHGRFDEIHGYSAPSKAAQLMAGLGFLEHQLRLNVASFSGGWRMRLNLARTLMSRSDLLLLDEPTNHLDLDAILWLEDWLKAYEG---TLILISHDRDFLDAITDHILHIENQELTLYTGNYSTFETTRSERLAQQQQAFEKQQEARAHLQKFIDRFKAKATKARQAQSRIKQLERMQQLAPAHVDTPFTFSFREPTKMSSPLLTLENASIGYGDKKIAEKIKLQITPNSRIGLLGMNGAGKSTLIKSLVGDLPLLAGERKASELLNIGYFAQHQMDALDGQASPMLQLARIADKQISEATLRSFLGSFGFSGERMDTPCESFSGGERARLALALIVWQRPNVLILDEPTNHLDLDMRHALSMALQDFEGA----VVLVSHERQLIASVCDELLLVHGGKCTEFEGDLQDYAKWLREARQQQINAQTAVAQNNSSSAAPAPAKVDKEAQRKEAARRREQTRPIRKNIEKVESQIEKLQPRLAEIEEALADTSLYEANRKDDLLKLMNEQTELKAKLEQYEEQLLELMMELEEMEASFEN 3J16 Chain:B ((1-608)) MSDKNSRIAIVSADKCKPKKCRQECKRSCPVVKTGKLCIEVTPTSKIAFISEILCIGCGICVKKCPFDAIQIINLPTNLEAHVTHRYSANSFKLHRLPTPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQ-----LENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVP-----SVYGVVTLPASVREGINIFLD-------GHIPAENLRFRTEALQFRIADATEDL----------------------QNDSASRAFSYPSLKKTQGDFVLNVE-EGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPK--LNVSMKPQKIAPKFPGTVRQLFFKK-IRGQFLNPQFQTDVVKPLRID-DIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEG--------------------------------IPSKNAHARAP-----------------------------ESLLTGCNRFLKNLNVTFRRDPNSFRPRINKLDSQMDKEQKSSGNYFFLDNTGI---------------

General information: TITO was launched using: RESULT: Template: 3J16.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2605 103663 39.79 198.21 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 39.79 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.287

(partial model without unconserved sides chains): PDB file : Tito_3J16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J16-query.scw PDB file : Tito_Scwrl_3J16.pdb: