Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVHFLHTSDWHLGQFFYNHSRHYEHQQFLSWLLTQIQEKQPHALLIAGDIFDVINPGSQAQKQLYQFLAD------------AHR---------IAPHMQTLMIAGNHDSGYRIEQ--VEPLLEKYN-AKTVGVVRWNEDKTLDLDRLLLPIYNQNQDIVAWCLALPFLRSAEITGFNEHTTNSKNAIAYLHQQLIAEAKRRKTPDQALILMSH-AHMQGGETSDSERPIIIGNEEALSTTLFEDAVDYVALGHLHKPQKVG------QPHIRYSGSPIPLSFSE--INYKHQVVEVKIDPSQDIDSRLQFEAVEIPRCIQLHRIRGELNEVLQQLKALPHGVIENIDHREYVDIEYYSLTPPQPNLRQQFEAALPPDRYRLVRISRQYVNKDTTNSNTTQHIALEPPTPEKLFQNIWEKQGYSADDAVLKDFLSLVQEAQKHLENDASH 4FBW Chain:A ((13-316)) -TIRILISSDPHVGYGEKDPVRGNDSFVSFNEILEIARERDVDMILLGGDIFHDNKPSRKALYQALRSLRLNCLGDKPCELELLS-NINYLDPNINV-AIPVFSIHGNHDD-----RYSALDILQVTGLVNYFGRVP---N--IVVSPILL----QKGFTKLALYGISNVRDERLYHSFRE------NKVKFLRP-DLY-----RDEWFNLLTVHQNHSAHTP-----T-------SYLPESFIQDFYDFVLWGHEHECLIDGSYNPTQKFTVVQPGSTIATSLSPGETAP-KHCGILNITGKD-----FHLEKIRLRTVRPFIMKDIILS------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FBW.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 : 1377 -50608 -36.75 -201.62 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -36.75 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4FBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FBW-query.scw PDB file : Tito_Scwrl_4FBW.pdb: