Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MENIALESSFLEYDINEPIK---IYTGHFTIEVADDFFEILGEVKIAFLPKARLIFEGAISGNLSKLFEFEKAMKSNNMMINVPGFMKSEVLISGITDGSKGNKVSGILKRSILTSAETKVNRMEFTVVNFVNDLGRRIVHGRFKFSGRTKLKYKDWEIILDKRYDYSNKKIFDRLKNSGGYLITHVGYLKRVDDKLFDTKEVEPLISGLYWLLSFSAGRHVAIPTLEGYHNEEVIWSKYQVPLIDGWTNNITWFPKQKSPSLEHLFPKVIEKQEDPFWNKVLWEVLSWYSQAHSSSIVENKVVSVQVALETLAWVYLIVDRKSNISKSKYKYMNAAEKFREILSRFSIDLSIPKLFIDIKDNYDDGPHLFTVFRNKIVHPTRELDFDNPIDKLHVLYLGVWYLELLTLGILGYEGSYVNRLKVPIIEGVYEFVPWKTRDN 4PW8 Chain:A ((26-367)) IYGNYLHLEKVLNAQELQSETKGNKIHDEHLFIITHQAYELWFKQI-LWELDSVREIFQNGHVRDERNMLKVVSRMHRVSVILKLLVQ-----------------------QFSILETM--------------------------------TALDFNDFREYLSPASGFQS--------LQFRLLENKIGVLQEENELLLKSEQEKTLLELVEAWLERTPG-------LEPHGFN--FWGKLEKNITRGLEEEFIRIQAKEESEEKEEQVAEFQKQKEVLLS--LFD-----EKRHEHLLSKGERRLSYRALQGALMIYFYREE----------------------PRFQVPFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGSRYKV-----------------FVDLFNLSTY----------LIP--------RHWIPKMN

General information: TITO was launched using: RESULT: Template: 4PW8.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 : 1033 26396 25.55 87.69 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 25.55 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.239

(partial model without unconserved sides chains): PDB file : Tito_4PW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PW8-query.scw PDB file : Tito_Scwrl_4PW8.pdb: