Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIEIKNLTFGYDSQGTLLFEQANLNFDTQWKLGLIGRNGRGKTTLLNILQNK-LPYQGQVIHQ----QEFAYFPQQTK-------------DKERLTYY--V-------L----NDITDFEIW---EIERELQLMQTDPEILWREFSTLSGGEKTKVLLALLFVDDTHFPLIDEPTNHLDISGRKQVAAYLKKK---KQGFIVVSHDRGFIDEVVDHVLAIEKSQLELYQGNFSIYEEQKKLRDEFEMAQNEKLKKEVSRLKKTAAEKAEWSRSREGDKTKKQVGFIDTESRRVNKGAVGADAARTMKRSKAIVNRMETQISEKEKLLKDIEYIDSLTMNSQASHHKRLLSVEDLQLGYENL-LFEPIHFTIEPHQRVAISGPNGAGKSSIIHYLLGAFNGKVIGEKYQPKHLSISYASQNYE--DNRGTLAEFAEK-N--QVDYQAFLNNLRKLGMERDVFHNKIEQMSMGQRKKVELAKSLSQPAELYTWDEPLNYLDVFNQEQLEQLILNV----KPAMLLVEHDQTFLDKVSTEIISLERI 4CRM Chain:P ((99-542)) --------------------------TPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQLE-NVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPS-VY-GVVTLPASVREGINIF----LDGH-IPA---EN--LRFR-T------EA-----------------------LQFRIADA-------------T-------ED---LQ--N--DSASRAFSYPSLKKT-QGDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKP-DEGQDIP--KLNVSMKPQKIAPKFPGTVRQLFFKKIRGQFLNPQFQTDVVKPLRID-DIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFE--

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 : 1737 60604 34.89 152.65 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain P : 0.68 3D Compatibility (PKB) : 34.89 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.322

(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: