Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFNSHSIPIRLNLLFSIVILLFMTIIGRLLYMQVLNKDFYEKKLASASQTKITSSSARGEIYDASGKPLVENTLKQVVSFTRSNKMTATDLKETAKKLLTYVSISSPNLTERQLADYYLADPEIYKKIVEALPSEKRLDSDGNRLSESELYNNAVDSVQTSQLNYTEDEKKEIYLFSQLNAVGNFATGTIATDPLNDSQVAVIASISKEMPGISISTSWDRKVL-ETSLSSIVGSVSSEKAGLPAEEAEAYLKKGYSLNDRVGTSYLEKQYEETLQGKRSVKEIHLDKYGNMESVD-TIEEGSKGNNIKLTIDLAFQDSVDALLKSYFNSELENGGAKYS-EGVYAVALNPKTGAVLSMSGIKH-DLKTGELTPDSL--GTVTNVFVPGSVVKAATISSGWENGVLSGNQTLTDQS-IVFQGSAPINSW-YTQAYGSFPITAVQALEYSSNTYMVQTALGLMGQTYQPNMFVGTSNLESAMEKLRSTFGEYGLGTATGIDLPDESTGFVPK--EYSFANYITNAFGQFDNYTPMQLAQYVATIANNGVRVAPRIVEGIYGNNDKGGLGDLIQQLQPTEMNKVNISDSDMSILHQGFYQVAHGTSGLTTGRAFSNGALVSISGKTGTAESYVA--DGQ---QATNTNAVAYAPSDNPQIAVAVVFPHNTNLTNGVGPSIARDIINLYQKYHPMN 4OVD Chain:A ((51-557)) ---------------------------------------------------NDIVLHARRGTIYDRNGNVLAMSVDCK--------------------------------------------------------------------------------------------------------------------------------------------NNTKRVYPYGNVGVQILGFVNAD---------------------NEGASGLEYYYNDILAGTNGHMI-------------SNITEAQNGQDIVLSIDIELQKKAEEQLTAAVKDFE-------AKQGGSIMAMNPRTGEIYAAASYPLPDF----VDYESLNLKLVSSIYEPGSVFKVITTSIGVDNNLFGPNSTFNIPTELQVGDN-KVTDDDWRT--SAMDMSVREMLRRSSNVGMAFLETQL--------------IGDK---RFAEGIDKFGIGHTTGIDFPGEATGIVRSLDQYEGPTGGNMAFGQGLAIPFIQVIRAYTAVANKGTMVTPHFMVSKG--------GQEVSW--P--TKD-VISSSTASAELDMMTTVVKE--GTGV-R-AG-IYGYTVAGKTGTGQQVVEETGSYGENSGFVASFCGIVNPSESDLMVYVGLNDTHQLASQSAAVVFSQFAKDAATRL---

General information: TITO was launched using: RESULT: Template: 4OVD.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 : 2558 -14579 -5.70 -36.17 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -5.70 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4OVD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OVD-query.scw PDB file : Tito_Scwrl_4OVD.pdb: