Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLMSSKAELLNGMNPRQKEAVLHTDGPLLLMAGAGSGKTRVLTHRIAYLIEEKEVNPWNILAITFTNKAAKEMKERVNAILASGGEDVWVSTFHSMCVRILRRDVDFIGYNRNFTIIDSSEQLTLMKRILKELNIDPKKYDPRSILGTISQAKNSLQTPQDFAKMQGSYYE--EIAAKCYAAYQKEFQYNQCMDFDDLIMNTIRLFEEHPDSLTYYQNKFHYIHVDEYQDTNHAQYTLVNLLAGRFRNLCVVGDADQSIYGWRGADMQNILDFEKDYPDAAVILLEQNYRSTKNILSAANQVIENNSNRKPKNLWTENKEGNKITYYRADNERDETRFIVDRMQEEIRSNHRNYGDFAILYRTNAQSRVMEETLLKANIPYKMVGGHKFYDRKEIKDILAYLNVLVNPQDSISFERIVNSPKRGIGPGSIEKLRSFASLHEWPLLEAAQNVDLANIGGKAGQQLGAFGEMIQEVTQMIPYLTVTELTKEVLDRSGYLEDLKIQNTLEAQARIENLEEFLTVTQEFDKQFEQQNEEDADAPEEKLTVFLNDLALVSDIDNLEEDASQ----VTLMTLHAAKGLEFPVVFLIGLEEGVFPLSRALME-ESELEEERRLAYVGITRAEEALYLTNAFSRTLYGRTQYNRPSRFVEEIDQELLEIEGMRPTPKKTPVFAKKTAYSYKQPETAVVPSKSATGGENNSWKPGDKVKHKKWGLGTVVRVSGTSKDLELDVAFPSQGVKRLLAAFAPIEKA 4C30 Chain:F ((7-649)) -------PDLLQALNPTQAQAADHFTGPALVIAGAGSGKTRTLIYRIAHLIGHYGVHPGEILAVTFTNKAAAEMRERAGHLVPGAG-DLWMSTFHSAGVRILRTYGEHIGLRRGFVIYDDDDQLDIIKEVMGSIPGIGAETQPRVIRGIIDRAKSNLWTPDDLDRSREP---PRDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKEVPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDRNLLVVGDPDQSIYKFRGADIQNILDFQKDYPDAKVYMLEHNYRSSARVLEAANKLIENNTERLDKTLKPVKEAGQPVTFHRATDHRAEGDYVADWLT-RLHGEGRAWSEMAILYRTNAQSRVIEESLRRVQIPARIVGGVGFYDRREIRDILAYARLALNPADDVALRRIIGRPRRGIGDTALQKLMEWARTHHTSVLTACAN----------AHKATEFAGLMEAMSEAADNYEPAAFLRFVMETSGYL-DLLRQEGQEGQVRLENLEELVSAAEEW-----SQDEA--------IADFLDDAALLSSVDDMRTKAE-PEDAVTLMTLHNAKGLEFPVVFIVGVEQGLLPSKGAIAEGPSGIEEERRLFYVGITRAMERLLMTAAQNRMQFGKTNAAEDSAFLEDIE--------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4C30.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 3335 61641 18.48 100.72 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain F : 0.80 3D Compatibility (PKB) : 18.48 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4C30.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C30-query.scw PDB file : Tito_Scwrl_4C30.pdb: