Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------MATPVTDPPKIIGRELHLDRLIGSGGFGEVYLAVRTKLATNPKHNFTFPAECVVKVMRRGLCTEEDVAAMNREVATLSSMDHPYIVAYIGAWVEAARGKFFGCYCLAMKYCEGGDLHGFIAQCIKAHRLPPVDVAVRIMAQVFSALNYSHSRRLIHRDIKPGNVFLTLQKSGVPDKAMVGDYGLVRSLEATRQLVKTRVGTPTYISPEIAAGEAYSTKTDIFSAGTMFYELLSLHRPFWKRMMTDQQLFREVLHRDPMPQFRAYTSSVYGTALADVIEACLTKHEANRATAYDALVRLTSPITAYVLKYAIPVYPEKDALTTSPPRPPAASSAPDGHASAADADG------DAATARQRLERLFLVRKGTAVGARLTRLLSHNAELLFQVRVLVACRSDNTDHLENGLAELLWAFPDAEVPFQEVIDLVMSDYRQLAE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 2PZI Chain:A ((1-677)) GSHMLGGGLVEIPRAPDIDPLEALMTNPVVPESKRFCWNCGRPVGRSGASEGWCPYCGSPYSFLPQLNPGDIVAGQYEVKGCIAHGGLGWIYLALDRNVNGR---------PVVLKGLVHSG-DAEAQAMAMAERQFLAEVVHPSIVQ-IFNFVEHTDRHGDPVGYIVMEYVGGQSLKQ----------KLPVAEAIAYLLEILPALSYLHSIGLVYNDLKPENIMLT------EEQLKLIDLGAVSRINSF----GYLYGTPGFQAPEIVRTGP-TVATDIYTVGRTLAALTLDLPTR--------------NGRYVDGLPEDDPVLKTYDSYGRLLRRAIDPDPRQRFTTAEEMSAQLTGVLREVVAQDTGVPRPGLSTIFSPSRSTFGVDLLVAHTDVYLDGQVHAEKLTANEIVTALSVPLVDPTDVAASVLQATVLSQPVQTLDSLRAARHGDFSESVELPLMEVRALLDLGDVAKATRKLDDLAERVGWRWRLVWYRAVAELLTGDYDSATKHFTEVLDTFPGELAPKLALAATAELAGNTDEHKFYQTVWSTNDGVISAAFGLARARSAEGDRVGAVRTLDEVPPTSRHFTTARLTSAVTLLVTEEQIRDAARRVEALPPTEPRVLQIRALVLGGALDWLKDNKASTNHILGFPFTSHGLRLGVEASLRSLARVAPTQRHRYTLVDMANKVRP

General information: TITO was launched using: RESULT: Template: 2PZI.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 : 1818 -26994 -14.85 -69.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -14.85 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.315

(partial model without unconserved sides chains): PDB file : Tito_2PZI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PZI-query.scw PDB file : Tito_Scwrl_2PZI.pdb: