Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRCFMSQSHIRIRGARTHNLKNVSLDIPRDKFVVITGLSGSGKSSLAFDTLYAEGQRRYVESLSAYARQFLSQMEKPEVDSIEGLSPAIAIEQKSTSHNPRSTVGTITEIYDYLRLLYARVGTPYCPEHDLPMVAQTVSEMVDAVKNLEEGTALMLLASVVRERKGEYSNLFEQLQGQGFVRARVDGEIIDIDTPPELDKKKKHTIEVVVDRFKVRDDLGNRIAESFETALRLGGDIAVLSWMNGEHPDRVFSAKHSCPECDRAVAELEPRLFSFNNPFGACPVCDGLGTRSHFSPEKLIPNPELAISEGAIRGWDRQRPYYYSMLQKVADHFGFQLDTPWNQLDKDTQKKFLQGTGKEKIDLSYIDE-RG------RKHTRVQPFEGILPH----LERRYRETESNYVRDDLAQYLSNAACDACGGSRLNEISRHVRVKDKTIADITRM---SIGDAESYYQGINLEGAK---------GEIADKIFKEIRERLHFLVSVGLNYLSLARSAETLSGGEAQRIRLASQIGAGLMGVMYVLDEPSIGLHQRDNDRLLQTLIRLRDLGNTVLVVEHDEDAIRAADHIIDIGPGAGVHGGVVIAEGTYDELAKHADSLTGQYLSGKLKIEVPKQRTQPPKPEEKIKLSGAAGHNLKNVDLTIPLGIMTCVTGVSGSGKSTLINRTLLPLAATQLNGATTLTAEKFDSID------GLQ----HL---DKVVDIDQSPIGRTPRSNPATYTGLFTPIRELFAQTPEAKARGYSAGRFSFNVKGGRCEACEGDGMIKVAMHFLPDMYVPCDACHGKRYNRETLEVGYKGKNISDVLEMTIEDAAEFFSAIPVIHRRLETLTQVGLGYIRLGQAATTLSGGEAQRVKLARELAKRDTGKT---LYILDEPTTGLHFHDIAKLLDILHELRNKGNTIVVIEHNLDVIKTADWVVDLGPEGGSGGGMIIAEGTPEQVAEVEISHTGRFLKPMLKQ 2VF8 Chain:B ((141-841)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GFSPNTPEGACPECHGLGRVYTVTEDSMVPDPSLTIRERAVAAWPQAWG--GQNQRDILVTLGIDVDVPWRELPEETRHWILFTDEQPVVP--VYPGLTPAETQRALKKKMEPSYMGTFSSARRHVLHTFANTESASMKKRVQGYMISEECPLCHGKRLRQEALNVTFAGLDITELSRLPLARVSELLRPYAEEREPGHAERVKNRPEQAIALQRMAADLVKRLDVLLHLGLGYLGLDRSTPTLSPGELQRLRLATQLYSNLFGVVYVLDEPSAGLHPADTEALLSALENLKRGGNSLFVVEHDLDVIRRADWLVDVGPEAGEKGGEILYSGPPEGLKHVPESQTGQYLFADRHT----EPHTPREPAGWLELNGVTRNNLDNLDVRFPLGVMTSVTGVSGSGKSTLVSQALVDALAAHF-GQPV-NPDPEDDEDPADHTAGSARLGGDLAQITRLVRVDQKPIGRTPRSNMATYTGLFDQVRKLFAATPLAKKRGYNAGRFSFNVKGGRCEHCQGEGWVMVELLFLPSVYAPCPVCHGTRYNAETLEVEYRGKNIADVLALTVDEAHDFFADESAIFRALDTLREVGLGYLRLGQPATELSGGEAQRIKLATELRRS---GRGGTVYVLDEPTTGLHPADVERLQRQLVKLVDAGNTVIAVEHKMQVVAASDWVLDIGPGAGEDGGRLVAQGTPAEVAQAAGSVTAPYLRAAL--

General information: TITO was launched using: RESULT: Template: 2VF8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3125 74651 23.89 112.77 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : 23.89 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_2VF8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VF8-query.scw PDB file : Tito_Scwrl_2VF8.pdb: