Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKLPEDFIFGGATAAYQVEGATKEGGKGAVAWDDFLEEQGRF----SPDPASDFYHQYAKDIELCERFGVNGLRLSIAWSRIFPDGAGKPNPEGIAFYHRVFEECKKRNVTPFVTLHHFDTPKRLFDHGDFLNRETIEAFVSYAIFCFHEFKE-VKVWSTFNEIYPVATNQYLLGVFPPGIKYDFTKIVACLHNMMVAHARVVNYFKENELPGEIGVVHSLETKYAATDAPEDKHAA-FLDDALSIRFLLDATYLGYYSTETLTALDEICEANQASYHFPEEDFVELKKASTRNDYLGINHYQCHFVKAYDGENAIHHNGTGEKGTSVYKVKGIGERIYKEGIPRTDWDWLIYPEGLYDLLLRIKSDYPHYNKIYITENGMGYKDQF-EDGIIMDQPRIDYLRVYLESLSKAITAGVNVKGYFLWSLMDLFSWTNGYNKRYGLFYVDFETQKRYPKESAYWYKLVSETKTII 2CBU Chain:A ((27-466)) --KFPEGFLWGVATASYQIEGSPLADGAGMSIWHTFSHTPGNVKNGDTGDVACDHYNRWKEDIEIIEKLGVKAYRFSISWPRILPEGTGRVNQKGLDFYNRIIDTLLEKGITPFVTIYHWDLPFALQLKGGWANREIADWFAEYSRVLFENFGDRVKNWITLNEPWVVAIVGHLYGVHAPGMR-DIYVAFRAVHNLLRAHARAVKVFRETVKDGKIGIVFNNGYFEPASEK--DIRAVRFMHQFNNYPLFLNPIYRGDYPELVLEFARE---------YLPENYKDDMSEIQEKIDFVGLNYYSGHLVK-FDPD-------------A--KVSFV-----ERDLPKTAMGWEIVPEGIYWILKKVKEEY-NPPEVYITENGAAFDDVVSEDGRVHDQNRIDYLKAHIGQAWKAIQEGVPLKGYFVWSLLDNFEWAEGYSKRFGIVYVDYSTQKRIVKDSGYWYSNVVKNNGL-

General information: TITO was launched using: RESULT: Template: 2CBU.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 : 2569 -18979 -7.39 -44.24 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -7.39 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_2CBU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CBU-query.scw PDB file : Tito_Scwrl_2CBU.pdb: