Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADCILKMADITKKFSGIRALDCVNLMIERGEIHALCGENGAGKSTLMNVLSGLYPYGSYDGEIFYDG-----------KLCQFKDLKDSEEKGIVIIHQELALSPYLSIKENIFLGNEQ--AE-R-G-VIDWELTEKKTYELLNKVGLSIDPNLLVSQIGVGQQQLVEIAKALSKSVRLLILDEPTAALNEEESANLLRLIRELKEQGVTSIIISHKLNEIVDIADRITILRDGQTIETLENEMIS-EEHIIRGMVGRDLV--DR---------YPER----KPDIGEVYFKVEDWTVYHPLDHERIINDHINLHLKKGEIVGIAGLMGAGRTEFAMSLFGHSYGSKISGRILKEGAEISVKTVPSAIANGLAYVSEDRKSLGLNLLMDIRENVTLSSLDKISQKGVLDKEKEVTEAENFRKKMRIKTNSIHQIVSSLSGGNQQKVVLSKWLMTQPDILFLDEPTRGIDVGAKYEIYTIIEEMAA-NGKAVCLISSELPEILGMCDRIYTMN--EGRITGEVSREDADQEVLMKLMTKEEVG 4CRM Chain:P ((99-558)) --------------------------TPRPGQVLGLVGTNGIGKSTALKILAGKQKPN--LGRFDDPPEWQEIIKYFRGSELQNYFT-KMLEDDIKAIIKP-------QYVDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSVYGVVTLPASVREGINIFLDGHIPAENLRFRTEALQFRIADATEDLQNDSASRAFSYPSLKK----TQGDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGAL--KPDEGQDIPKL--------------NVSMKPQKI---APKFPGTVRQLFFKKIRGQ------F---LNPQFQTDVVKPLRID-DIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPSKNAHARAPESLL--------------

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 : 2017 29086 14.42 68.44 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain P : 0.64 3D Compatibility (PKB) : 14.42 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.380

(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: