Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIWFAEYQKTGIPETVALPAENTSLVDIFERNFQKFGSRDAFIFMDKAMSFNELELASRKFATYLQNLGLAKGTRVAVMMPNVLQYPVVALAVLRAGLVLVNVNPLYTARELEHQLNDSGAEVLVIIENFASVYQSILGKTPVKHVVVASVGDMLGTLKGTLVNFVLRKVRKQIPAWNIPGHVKFNSALNKENPSNYKRPTLTLSDTAVLQYTGGTTGVSKGAELTHRNLVANLLQ-CDGIFQSKFGANDGAKGDRIVCALPLYHIFAFMVCAMYGMYKGQANILIPNPRDLPAVIKELRKYQPSFFPAVNTLFNALVNNEEFKQLDHSNLKMAMGGGMAV-LPSTAEAWKKITGTTIIEGYGLSETSPV-----ATANPPASTEFSGTIGIPLPLTEVAILD-DDGKEVPLGEQGEISIRGPQVMKGYWNRPDETAKVMTADGFFRTGDIGVMDSRGYVKIVDRKKDMILVSGFNVYPSEIEEVIAKHPKVLEVAAIGVPDEKSGEVPKLFIVKKDPSLTTE-EVLNFAKENLTGYKRPRYVEFMDELPKSNVGKILRKDLRKPV 3A9U Chain:A ((51-531)) ---------------------------------------------------TYADVELTARRVASGLNKIGIQQGDVIMLFLPSSPEFVLAFLGASHRGAIITAANPFSTPAELAKHAKASRAKLLITQACYYEKVKDFARE-DVKVMCVDSAPD---------------------------GCLHF-SELTQADENEAPQVDISPDDVVALPYSSGTTGLPKGVMLTHKGLITSVAQQVDGDNPNLYFHSE----DVILCVLPMFHIYALNSIMLCGLRVG-APILIMPKFEIGSLLGLIEKYKVSIAPVVPPVMMSIAKSPDLDKHDLSSLRMIKS-----ELEDTVRA--KFPQARLGQGYGMTEAGPVLAMCLAFAKEPFDIK-PGACGTVVRNAEMKIVDPETGASLPRNQPGEICIRGDQIMKGYLNDPEATSRTIDKEGWLHTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLIAHPEISDAAVVGLKDEDAGEVPVAFVVKSEKSQATEDEIKQYISKQVIFYKRIKRVFFIEAIPKAPSGKILRKNLKE--

General information: TITO was launched using: RESULT: Template: 3A9U.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 : 2579 -105280 -40.82 -226.90 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -40.82 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_3A9U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A9U-query.scw PDB file : Tito_Scwrl_3A9U.pdb: