Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSQKPWLAEYPNDIPHELPLPNKTLQSILTDSAARFPDKTAISFYGKKLTFHDILTDALKLAAFLQCNGLQKGDRVAVMLPNCPQTVISYYGVLFAGGIVVQTNPLYTEHELEYQLRDAQVSVIITLDLLFPKAIKMKTLSIVDQILITSVKDYLPFPKNILYPLTQKQKVHIDFDKTANIHTFASCMKQEKTELLTIPKID-PEHDIAVLQYTGGTTGAPKGVMLTHQNILANTEMCAAWMYDVKE------GAEKVLGIVPFFHVYGLTAVMNYSIKLGFEMILLPKFDPLETLKIIDKHKPTLFPGAPTIYIGLLHHPELQHYDLSSIKSCLSGSAALPVEVKQKFE-KVTGGKLVEGYGLSEASPVTHANFIWGKN----KPGSIGCPWPSTDAAIYSEETGELAAPYEHGEIIVKGPQVMKGYWNKPEETAAVL-RDGWLFTGDMGYMDEEGFFYIADRKKDIIIAGGYNIYPREVEEALYEHEAIQEIVVAGVPDSYRGETVKAFVVLKKGAKADTEELDAFARSRLAPYKVPKAYEFRKELPKTAVGKILRRRLLEEETENHHIK 3NI2 Chain:A ((18-532)) --------------IPKNLPLHSYVLENLSNHSSKPCLINGA---NGDVYTYADVELTARRVASGLNKIGIQQGDVIMLFLPSSPEFVLAFLGASHRGAIITAANPFSTPAELAKHAKASRAKLLITQACYYEKVKDFARESDVKVMCVDSAPD-------------------------GCLH-FSELTQADENE---APQVDISPDDVVALPYSSGTTGLPKGVMLTHKGLITSV----AQQVDGDNPNLYFHSEDVILCVLPMFHIYALNSIMLCGLRVGAPILIMPKFEIGSLLGLIEKYKVSIAPVVPPVMMSIAKSPDLDKHDLSSLRMIKSGGAPLGKELEDTVRAKFPQARLGQGYGMTEAGPVLAMCLAFAKEPFDIKPGACGTVVRNAEMKIVDPETGASLPRNQPGEICIRGDQIMKGYLNDPEATSRTIDKEGWLHTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLIAHPEISDAAVVGLKDEDAGEVPVAFVVKSEKSQATEDEIKQYISKQVIFYKRIKRVFFIEAIPKAPSGKILRKNLKEK--------

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 : 3069 -79477 -25.90 -158.32 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -25.90 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.528

(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: