Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLSYLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGLTDEILVFSAPKFFFET-DEAYAFSIPSNTKGVKFITRESFVLSDSSFNHPLSSRYEEMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSSFHAFTFHQVVIRQMIKIEFLLGVAQLLVDT---I--NVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGMVT--LPTENAFDSEIREDLDQYLQATNTNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH 4U83 Chain:A ((109-361)) ----------------------------------------------------------------------------------------------------------------------------------EDQKRRFLPKMACGEWIGGFALTEP---------------LKTRARL-DGDHYVIDGSKQFITSGKNGNVVIVFAVTD-PAAGKKGISAFIVPTDTPGYEVMSVEHK----------LGQHS-SDTCALGFTNMRVPVENRLGA--EGEGYKIAL--ANLEGGRIGIAAQAVGMARAAFEAARDYARERITFGKPIIEHQAVAFRLADMATRIETARQMVLHAAALREAG---K--PCLTEASMAKLVASEMAEQVCSAAIQIHGGYGYLADYPVERIYRDV-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U83.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1022 -52853 -51.72 -223.01 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -51.72 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_4U83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U83-query.scw PDB file : Tito_Scwrl_4U83.pdb: