Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------MKNIPNFNSFVKVEPIHKGWSGDKKYYVEAENGERFLLRVSDISKYKEK-ESEFEIMKKMSATGMKMSLPISFG-VCENEKSVYQLLTWCDGVEAKEALYNLSDEEQYIFGQKAAKILRQIETIDYKPASEEWVISYQERVKYYIELYRKCGYTFDGDEMVISYLQTGLQHIGERPTALMHNDFQTDNMVISPDGELYIIDFQMCGIADPYHVLTG-VGVSAMYSIPFAKGQIEEYFGRNVPEDFWEKYNHYMLAEMLYSFTVGVNMEEERENTLHMFDDEVERIKNNGSHIPKWYQKKI--------------------------------------------------------------------------------------------------- 2ACX Chain:A ((14-532)) KARKGKSKKWRQMLQFPHISQCEELRLSLERDYHSLCERNPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKACGRNLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQA----------------------------------------------GFPEARAVFYAAEICCGLEDLHRER--IVYRDLKPENILLDDHGHIRISDLGLAVHVPEGQTIKGRVGTVGYMAPEVVKNE-----------RYTFSPDWWALGCLLYEMIAGQSPFQQRKKKIK-REEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGAGMLEPPFKPDPQAIYCEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGS

General information: TITO was launched using: RESULT: Template: 2ACX.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 : 789 -1020 -1.29 -4.30 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -1.29 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.306

(partial model without unconserved sides chains): PDB file : Tito_2ACX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2acx-query.scw PDB file : Tito_Scwrl_2ACX.pdb: