Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLMSSKAELLNGMNPRQKEAVLHTDGPLLLMAGAGSGKTRVLTHRIAYLIEEKEVNPWNILAITFTNKAAKEMKERVNAILASGGEDVWVSTFHSMCVRILRRDVDFIGYNRNFTIIDSSEQLTLMKRILKELNIDPKKYDPRSILGTISQAKNSLQTPQDFAKMQGSYYE----EIAAKCYAAYQKEFQYNQCMDFDDLIMNTIRLFEEHPDSLTYYQNKFHYIHVDEYQDTNHAQYTLVNLLAGRFRNLCVVGDADQSIYGWRGADMQNILDFEKDYPDAAVILLEQNYRSTKNILSAANQVIENNSNRKPKNLWTENKEGNKITYYRADNERDETRFIVDRMQEEIRSNHRNYGDFAILYRTNAQSRVMEETLLKANIPYKMVGGHKFYDRKEIKDILAYLNVLVNPQDSISFERIVNSPKRGIGPGSIEKLRSFASLHEWPLLEAAQNVDLANIGGKAGQQLGAFGEMIQEVTQMIPYLTVTELTKEVLDRSGYLEDLKIQNTLEAQARIENLEEFLTVTQEFDKQFEQQNEEDADAPEEKLTVFLNDLALVSDIDNLEEDASQ----VTLMTLHAAKGLEFPVVFLIGLEEGVFPLSRALME-ESELEEERRLAYVGITRAEEALYLTNAFSRTLYGRTQYNRPSRFVEEIDQELLEIEGMRPT--PKKTPVFAKKTAYSYKQPETAVVPSKSATGGENNSWKPGDKVKHKKWGLGTVVRVSGTSKDLELDVAFPSQGVKRLLAAFAPIEKA 4C2T Chain:C ((4-662)) ----SAGPDLLQALNPTQAQAADHFTGPALVIAGAGSGKTRTLIYRIAHLIGHYGVHPGEILAVTFTNKAAAEMRERAGHLVPGAG-DLWMSTFHSAGVRILRTYGEHIGLRRGFVIYDDDDQLDIIKEVMGSIPGIGAETQPRVIRGIIDRAKSNLWTPDDLDRSREPFISGLPRDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKEVPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDRNLLVVGDPDQSIYKFRGADIQNILDFQKDYPDAKVYMLEHNYRSSARVLEAANKLIENNTERLDKTLKPVKEAGQPVTFHRATDHRAEGDYVADWLT-RLHGEGRAWSEMAILYRTNAQSRVIEESLRRVQIP-RIVGGVGFYDRREIRDILAYARLALNPADDVALRRIIGRPRRGIGDTALQKLMEWARTHHTSVLTACANAAEQNILDRGAHKATEFAGLMEAMSEAADNYEPAAFLRFVMETSGYL-DLLRQE--EGQVRLENLEELVSAAEEW-----SQDEAN------SIADFLDDAALLSSVDDMRTKAE-PEDAVTLMTLHNAKGLEFPVVFIVGVEQGLLPSKGAIAEGPSGIEEERRLFYVGITRAMERLLMTAAQNRMQFGKTNAAEDSAFLE-------DIEGLFDTVDPYGQPI--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4C2T.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3448 -9023 -2.62 -14.14 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain C : 0.80 3D Compatibility (PKB) : -2.62 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_4C2T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C2T-query.scw PDB file : Tito_Scwrl_4C2T.pdb: