Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPVTDPPKIIGRELHLDRLIGSGGFGEVYLAVRTKLATNPKHNFTFPAECVVKVMRRGLCTEEDVAAMNREVATLSSMDHPYIVAYIGAWVEAARGKFFGCYCLAMKYCEGGDLHGFIAQ--CIKAHRLPPVDVAVRIMAQVFSALNYSHSRRLIHRDIKPGNVFLTLQKSGVPDKAMVGDYGLVRSLEATRQLVKTRVGTP----TYISPEIAAGEAYSTKTDIFSAGTMFYELLSLHRPFWKRMMTDQQLFREVLHRDPMPQFRAYTSSVYGTALADVIEACLTKHEANRATAYDALVRLTSPITAYVLKYAIPVYPEKDALTTSPPRPPAASSAPDGHASAADADGDAATARQRLERLFLVRKGTAVGARLTRLLSHNAELLFQVRVLVACRSDNTDHLENGLAELLWAFPDAEVPFQEVIDLVMSDYRQLAE 1BYG Chain:A ((15-276)) -------GWALNMKELKLLQTIGKGEFGDVMLGDYRG------------NKVAVKCIK------NDAQAFLAEASVMTQLRHSNLVQLLGVIV--EEG-----LYIVTEYMAKGSLVDYLRSRG----RSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDN-----VAKVSDFG-------------------LLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPL-KDVVPRVEKGYKMDAPDGCP-----PAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHE-------------L-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1BYG.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 : 1204 -90102 -74.84 -375.43 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -74.84 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_1BYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BYG-query.scw PDB file : Tito_Scwrl_1BYG.pdb: