Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKPYYEFFCPVKVIAGNAALEHIPFELATLGAKRPLIITDKGVRANGLLNPIEAAFSTTDAVIGHVFDDVPPDSSLEVVRLAAEAYRTNKCDAIIAVGGGSVIDTSKATNILVSEGG-DDLLQYSGAHNLPKPLKPFFVIPTTSGTGSEVTMVAVVSDTQKNVKLAFASYYLMPHAAILDPRMTLTLPPHLTAMTGMDALTHCVEAYTCMAANPLSDAYASAGIKKISENLFNVLENPNDSQGRLELAQASTMAGIAFSNSMVGLVHSLGHALGAVAHLPHGLCMNLFLPYVLEYNKQINGQKIGELLLPLAGADIYAQTPATQRADRAIATILAM-RDRLFSLTKLPRTLRETGKVTEAQLDEVAEKALNDGSIIYNPKEASLKDLREILQKAW 5BR4 Chain:B ((15-383)) ----------------GRGAVGALTDEVKRRGYQKALIVTDKTLVQCGVVAKVTDKMDAA-GLAWAIYDGVVPNPTITVVKEGLGVFQNSGADYLIAIGGGSPQDTCKAIGIISNNPEFADVRSLEGLSPTNKPSVPILAIPTTAGTAAEVTINYVITDEEKRRKFVCVDPHDIPQVAFIDADMMDGCPPALKAATGVDALTHAIEGYITRGAWALTDALHIKAIEIIAGALRGSVAGDKDAGEEMALGQ--YVAGMGFSNVGLGLVHGMAHPLGAFYNTPHGVANAILLPHVMRYNADFTGEKYRDIARVM-GVKVEGMSLEEAR-NAAVEAVFALNRD-----VGIPPHLRDVG-VRKEDIPALAQAALDDVCTGGNPREATLEDIVELYHTAW

General information: TITO was launched using: RESULT: Template: 5BR4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2319 -90478 -39.02 -246.53 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -39.02 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_5BR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BR4-query.scw PDB file : Tito_Scwrl_5BR4.pdb: