Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTLIAALQ------NPALYPHPVERFEVIETHISWVLLTGPYAY-------------KIKKPMDFGFLDFTSL------DKRRFYCNEELRLNQ--RLTDDLYLEVLPITGSEEAPRIGGDGEAIEYLLKMRQF---------PQDNLLAAIQGRGELSNQHIDELAEQIAHFHQNTPKVPLEHPLGTAESCMAPVRQNFEQVRPLLKDKADLQQLDALEAWAESSFERLLPV-LQERKAKGFIRECHGDIHLGNA--ALIDGRVVLFDCIEFNEPFRFTDVCADFAFLAMDLE-DRGLKCHARRFVSLYLEHTGDYQALEL-LNFYKAYRAMVRAKVALFSLGYQTDAVQ-------------------RAATLRQYRNYANLAESYSAIPSRFLAVTHGVSAVGKSQVAMRLVEAL----GAVRLRSDIERK----------RLFGEQPEHDRGQFAAGIYSSQASEA----------------TYAHLHQLAAKILQAGYPVVIDA--AYLKQNQRQAACHIAEETGVP----FLILDCQAPEAVIAGWLAQRQA--EGKDPSDATLDVIRTQQATREPLTAAE--TVQSKRVDTHDAASLDGLVDGIRQRLPGL--------- 3J16 Chain:B ((1-608)) MSDKNSRIAIVSADKCKPKKCRQECKRSCPVVKTGKLCIEVTPTSKIAFISEILCIGCGICVKKCPFDAIQIINLPTNLEAHVTHRYSANSFKLHRLPTPRPGQVLGLVGTNGI-------GKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRG---------SELQNYFTKMLEDDIKAIIKPQY--VDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSVYGVVTLPASVREGINIFLDGHIPAENLRFRTEALQFRIADATEDLQNDSASRAFSYPSLKKTQGDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPKLNVSMKPQKIAPKFPGTVRQLFFKKIRGQFLNPQFQTDVVKPLRIDDIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVE---HDFIMATYLADKVIVFEGIPSKNAHARAPESLLTGCNRFLKNLNVTFRRDPNSFRPRINKLDSQMDKEQKSSGNYFFLDNTGI

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 : 2374 13606 5.73 27.27 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 5.73 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.000

(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: