Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPVTDPPKIIGRELHLDRLIGSGGFGEVYLAVRTKLATNPKHNFTFPAECVVKVMRRGLCTEEDVAAMNREVATLSSM-DHPYIVAYIGAWVEAARGKFFGCYCLAMKYCEGGDLHGFIAQCIKA-HRLPPVDVAVRIMAQVFSALNYSHSRRLIHRDIKPGNVFLTLQKSGVPDKAMVGDYGLVRSLEATRQ--LVKTRVGTPTYISPEIAAGEAYSTKTDIFSAGTMFYELLS-LHRPFWKRMMTDQQLFREVLHRDPMPQFRAYTSSVYGTALADVIEACLTKHEANRATAYDALVRLTSPITAYVLKYAIPVYPEKDALTTSPPRPPAASSAPDGHASAADADGDAATARQRLERLFLVRKGTAVGARLTRLLSHNAELLFQVRVLVACRSDNTDHLENGLAELLWAFPDAEVPFQEVIDLVMSDYRQLAE 2PSQ Chain:B ((78-363)) ----------FPRDKLTLGKPLGEGCFGQVVMAEAVGID------PKEAVTVAVKMLKDDA-TEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQD------GPLYVIVEYASKGNLREYLRARRPPGEEQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLVTEN-----NVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLMWEIFTLGGSPYPGI--PVEELFKLLKEGH-RMD----KPANCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIL----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PSQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1328 -75460 -56.82 -282.62 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -56.82 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_2PSQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PSQ-query.scw PDB file : Tito_Scwrl_2PSQ.pdb: