Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGR--KAELEGDIFAP-SAIAFDEQS----------------ATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGP-LFVRVS---ASDYTDKGLDI-ADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDP-FFARTAAK-QLNTEIPAPVQYERGW 2ABA Chain:A ((3-347)) --EKLFTPLKVGAVTAPNRVFMAPLTRLRSIEPGDIPTPLMGEYYRQRA--SAGLIISEATQISAQAKGYAGAPGLHSPEQIAAWKKITAGVHAEDGRIAVQLWHTGRISHSSIQPGGQAPVSASALNANTRTSLRDENGNAIRVDTTTPRALELDEIPGIVNDFRQAVANAREAGFDLVELHSAHGYLLHQFLSPSSNQRTDQYGGSVENRARLVLEVVDAVCNEWSADRIGIRVSPIGTFQNVDNGPNEEADALYLIEELAKRGIAYLHMS-----ETDLAGGKPYSEAFRQKVRERFHGVIIGAGAYT-AEKAEDLIGKGLIDAVAFGRDYIANPDLVARLQKKAELNPQRP---------

General information: TITO was launched using: RESULT: Template: 2ABA.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 : 1938 19094 9.85 59.86 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 9.85 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_2ABA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ABA-query.scw PDB file : Tito_Scwrl_2ABA.pdb: