Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEVKELEQLIGKNFHYYQTGQVADYIPALAEVDPKQLGMAIYDLDTKQLIEGGDADVRFAIESMSKVPVLLLAIKDNGIEKVFQTINTEPTGFAFNSIMNMEINHRKHPMNPFVNAGAIATTSLIA-GKDADEKFERILSFMKEICDDPNITLNEEIYHSESRTGDINRSLAYYMKGNQMI-EG-DVPEILDAYFRQCSLNVTATGIAKLAAVLANKGIAPWNGKQIITEESATIVKSIMTTAGLYDESGEFSVHVGVPAKSGVGGGLMAAVPNRYGIGVFSPALDPFGNSAAGIQLLKDVVKELDADIFE 3SS5 Chain:A ((125-403)) -------------------GKVADYIPQLAKFSPDLWGVSVCTVDG-QRHSIGDTKVPFCLQSCVKPLKYAIAVNDLGTEYVHRYVGKEPSG------F---LNEDDKPHNPMVNAGAIVVTSLIKQGVNNAEKFDYVMQFLNKMAGNEYVGFSNATFQSERESGDRNFAIGYYLKEKKCFPEGTDMVGILDFYFQLCSIEVTCESASVMAATLANGGFCPITGERVLSPEAVRNTLSLMHSCGMYDFSGQFAFHVGLPAKSGVAGGILLVVPNVMGMMCWSPPLDKMGNSVKGIHFCHDLV---------

General information: TITO was launched using: RESULT: Template: 3SS5.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 : 1674 -81843 -48.89 -303.12 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -48.89 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_3SS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SS5-query.scw PDB file : Tito_Scwrl_3SS5.pdb: