Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKINHLTITQNKDLRDLVSDLTMTIQDGEKVAIIGEEGNGKSTLLKTLMGEDLSDFTIKGDIQSDY---QSLAYIPQKVP------------EDLKK---------------KTLHDYFFLDSIDLDYSILYRLAEELHFDSNRFASDQEIGNLSGGEALKIQLIHELAKPFEILFLDEPSNDLDLETVDWLKGQIQKT---RQTVIFISHDEDFLSETADTIVHLRLVKHRKEAETLVE----HLDYDSYSEQRKANFAKQSQQAANNQRAYDKTMKKHRRVKQNVETALRATKDSTAGRLLAKKMKTVLSQEKRYEKAAQSMTQKPLEEEQIQLFFSDIQPLPASKVLVQLEKENLSIDDRVLVQKLQLTVRGQEKIGIIGPNGVGKSTLLAKLKQLLNDK-----REISLGFMPQDYHKKLQLDLSPIAYISKTGE--KEELQKIQSHLASLNFSYPEMQHQIRSLSGGQQGKLLLLDLVLRKPNFLLLDEPTRNFSPTSQPQIRKLFATY----PGGLITVSHDRRFLKEICSIIYRMTEHGLKLVNLEDL 4CRM Chain:P ((99-544)) ------------------------TPRPGQVLGLVGTNGIGKSTALKILAGKQKPN---LGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRME-KSPEDVKRYIKILQLEN---VLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVP------SVYGVVTLPASVREGINI----F--------------------LDGH------------IPAENLRF----RTE-ALQFRIA------DATED----LQ-----N--DSASRAFS-YPSLKKT-QGDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPKLNVSMKPQKIAPKF--PGTVRQLFFKKIRGQFLNPQFQTDVVKPLRIDD-IIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGI----------

General information: TITO was launched using: RESULT: Template: 4CRM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 1749 67472 38.58 169.53 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain P : 0.66 3D Compatibility (PKB) : 38.58 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_4CRM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CRM-query.scw PDB file : Tito_Scwrl_4CRM.pdb: