Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFNSHSIPIRLNLLFSIVILLFMTIIGRLLYMQVLNKDFYEKKLASASQTKITSSSARGEIYDASGKPLVENTLKQVVSFTRSN-KMTATD---------LKETAKKLLTYVSISSPNLTERQLADYYLADPEIYKKIVEALPSEKRLDSDGNRLSESELYNNAVDSVQTSQLNYTEDEKKEIYLFSQLNAVGNFATGTIATDPLNDSQVAVIASI--SKEMPGISISTSWDRKVL-ETSLSSIVGSVSSEKAGLPAEEAEAYLKKGYSLNDRVGTSYLEKQYEETLQGKRSVKEIHLDKYGNMESVD--TIEEGSKGNNIKLTIDLAFQDSVDALLKSYFNSELENGGAKYSEGVYAVALNPKTGAVLSMSGIKH-DLKTG-EL--TPDSL--GTVTNVFVPGSVVKAATISSGWENGVLSGNQTLTDQS-IVFQGSAPINSWYTQA---YGSFPITAVQALEYSSNTYMVQTALGLMGQTYQPNMFVGTSNLESAMEKLRSTFGEYGLGTATGIDLPDESTGFVPKEYSFANYITNAFGQFDNYTPMQLAQYVATIANNGVRVAPRIVEGIYGNNDKGGLGDLIQQLQPTEMNKVNISDSDMSILHQGFYQVAHGT-SGLTTGRA-----FSNGALVSISGKTGTAESYVA--DG----QQATNTNAVAYAPSDNPQIAVAVVFPHNTN--L--TNGVGPSIARDIINLYQKYHPMN 5U47 Chain:A ((24-576)) ---------------------------------------------------TKTIVAAKRGTIYDRNGNVLAEDSTSYSIYAIVSTSYVSPTREKLYVQESQFDKVADILKDKLGIKKSYT----------------------------------------------------------LAQ----LRTK--GAYQVSFGLKGK-GITYSVKEDLEKTFKDAGIKGMAFEATTSRMYPNGTFASEFLGRAEPIEN------K---K-DG--SYSLIGQTGLERSLNSLLTGTDGEAIYEKDKDGNTLLGTETITKEAIDGKNIYTTLSAPLQTFLETQMDTFMEQTK-------GINASATVVNAKTGEILATTQRPTYNSDTLEGQAKKGYDWVNRLYEAQYEPGSTMKVMLLSAAINNGSFNPNATYSNANGIKVGDV-EIND-WSINEGISKGRTMSFAQGFSYSSNVGMTMLEQA---------------MGDK---VWSNYLSLYKFGIPTRFGMVGESSGIVSQN--SVNIAQSSFGQGISVTQVQMLRAFTAISNNGIMLEPQFIKQVADTN-----KGTVRTAKKEVIGK-PVSKQAASETRNYMISVGTDPEFGTLY-NKSEGSPIIQVGNNDVTVKSGTAQVPDEKTGTYKVGTNETLNSVVAMVPSEDPEYIMYVTVQEPKTWNNNFFATVVNPVLEEAMSMGATL----

General information: TITO was launched using: RESULT: Template: 5U47.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 : 2781 126254 45.40 246.59 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 45.40 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.353

(partial model without unconserved sides chains): PDB file : Tito_5U47.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U47-query.scw PDB file : Tito_Scwrl_5U47.pdb: