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 3NI2 Chain:A ((51-531)) ---------------------------------------------------TYADVELTARRVASGLNKIGIQQGDVIMLFLPSSPEFVLAFLGASHRGAIITAANPFSTPAELAKHAKASRAKLLITQACYYEKVKDFARESDVKVMCVDSAPD---------------------------GCLHF-SELTQADENEAPQVDISPDDVVALPYSSGTTGLPKGVMLTHKGLITSVAQQVDGDNPNLYFHSE----DVILCVLPMFHIYALNSIMLCGLRVG-APILIMPKFEIGSLLGLIEKYKVSIAPVVPPVMMSIAKSPDLDKHDLSSLRMIKSGGAPLGKELEDTVRA--KFPQARLGQGYGMTEAGPVLAMCLAFAKEPFDIK-PGACGTVVRNAEMKIVDPETGASLPRNQPGEICIRGDQIMKGYLNDPEATSRTIDKEGWLHTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLIAHPEISDAAVVGLKDEDAGEVPVAFVVKSEKSQATEDEIKQYISKQVIFYKRIKRVFFIEAIPKAPSGKILRKNLKE--

General information: TITO was launched using: RESULT: Template: 3NI2.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 : 2747 -114369 -41.63 -243.34 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -41.63 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_3NI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NI2-query.scw PDB file : Tito_Scwrl_3NI2.pdb: