Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHRQVLILASSQSLFQTVSVMVMTIGGLAGANIANTPTLSTLPIASMFLGTALMMFPASILMAHIGRRNGFLFGAFLGVLGGIIASIG---------------IFYSSLSLLALGTLCVGAYQSFAQFY-RFAASEVANDAFRSRAISWVLAGGIVAALIGPTLARFGGPLF-----QHLEYIGSFLIISIISLVAMGILSSLHIADT-VE--QK-SDFTA--------------GRPW----QQIVFQPTYLVA----------LFGAITGYGIMILGMTATPIAMRHSHHELGSITTVIQLHVLGMFLPSFFTGNLIARFGVLKIMFAGLLLFACYIGFALSG-----IQFTSFAISLILLGVGWNFLFIGSTSLLTGTYSVAEKAKAQAINDMTVFVVGLICSFSA------GALLDLFGWKAMNIALIPWLVIAAASLFWLSQKREKQFV 4GBY Chain:A ((53-458)) -----------------------------------ANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMSRGKQEQAEGILRKIMGNTLATQAVQEIKHSLDHGRKTGGRLLMFGVGVIVIGVMLSIFQQFVGINVVLYYAPEVFKTLGASTDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQAPGIVALLSMLFYVAAFAMSWGPVCWVLLSEIFPNAIRGKALAIAVAAQWLANYFVSWTFPMMDKNSWLVAHFHNGFSYWIYGCMGVLAALF-------------

General information: TITO was launched using: RESULT: Template: 4GBY.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 : 1302 -182435 -140.12 -533.43 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -140.12 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_4GBY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GBY-query.scw PDB file : Tito_Scwrl_4GBY.pdb: