Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPVTDPPKIIGRELHLDRLIGSGGFGEVYLAVRTKLATNPKHNFTFPAECVVKVMRRGLCTEEDVAAMNREVATLSSMDHPYIVAYIGAWVEAARGKFFGCYCLAMKYCEGGDLHGFIAQCIKAHRLPPVDVAVRIMAQVFSALNYSHSRRLIHRDIKPGNVFLTLQKSGVPDKAMVGDYGLVRSLEATRQLVKTRVGTPTYISPEIAAGEAYSTKTDIFSAGTMFYELLSLHRPFWKRMMTDQQLFREVLHRDPMPQFRAYTSSVYGTALADVIEACLTKHEANRATAYDALVRLTSPITAYVLKYAIPVYPEKDALTTSPPRPPAASSAPDGHASAADADGDAATARQRLERLFLVRKGTAVGARLTRLLSHNAELLFQVRVLVACRSDNTDHLENGLAELLWAFPDAEVPFQEVIDLVMSDYRQLAE 2BDW Chain:A ((5-269)) --------STKFSDNYDVKEELGKGAFSVVRRCVHKTTG----------LEFAAKIINTKKLSARDFQKLEREARICRKLQHPNIVRLHDSIQEE------SFHYLVFDLVTGGELFEDIVA----REFYSEADASHCIQQILESIAYCHSNGIVHRNLKPENLLLASKA--KGAAVKLADFGLAIEVNDSE-AWHGFAGTPGYLSPEVLKKDPYSKPVDIWACGVILYILLVGYPPFWDED--QHRLYAQIKAGAYDY--PSPEWDTVTPEAKSLIDSMLTVNPKKRITADQALKVP--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BDW.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 : 1234 -147025 -119.14 -559.03 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -119.14 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_2BDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BDW-query.scw PDB file : Tito_Scwrl_2BDW.pdb: