Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPVTDPPKIIGRELHLDRLIGSGGFGEVYLAVRTKLATNPKHNFTFPAECVVKVMRRGLCTEEDVAAMNREVATLSSMDHPYIVAYIGAWVEAARGKFFGCYCLAMKYCEGGDLHGFIAQCIKAHRLPPVDVAVRIMAQVFSALNYSHSRRLIHRDIKPGNVFLTLQKSGVPDKAMVGDYGLVRSLEATRQLVKTRVGTPTYISPEIAAGEAYSTKTDIFSAGTMFYELLSLHRPFWKRMMTDQQLFREVLHRDPMPQFRAYTSSVYGTALADVIEACLTKHEANRATAYDALVRLTSPITAYVLKYAIPVYPEKDALTTSPPRPPAASSAPDGHASAADADGDAATARQRLERLFLVRKGTAVGARLTRLLSHNAELLFQVRVLVACRSDNTDHLENGLAELLWAFPDAEVPFQEVIDLVMSDYRQLAE 2WEL Chain:A ((2-265)) -----------MTDEYQLFEELGKGAFSVVRRCMKIPTG----------QEYAAKIINTKKLSARDHQKLEREARICRLLKHPNIVRLHDSISEE------GFHYLVFDLVTGGELFEDIVA----REYYSEADASHCIQQILESVNHCHLNGIVHRDLKPENLLLASKS--KGAAVKLADFGLAIEVQGDQQAWFGFAGTPGYLSPEVLRKDPYGKPVDMWACGVILYILLVGYPPFWDEDQ--HRLYQQIKAGAY-D-FPSPEWDTVTPEAKDLINKMLTINPAKRITASEALKH---------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WEL.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 : 1263 -157784 -124.93 -606.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -124.93 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_2WEL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WEL-query.scw PDB file : Tito_Scwrl_2WEL.pdb: