Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMKPPVEKNEYYDVTFEDLTHEGAGVAKVQGFPIFVPNALPEEKAQIKVTRVKKGFAFGRLIELKEESPHRTDAPCPIYKQCGGCQLQHMTYEGQLLFKQKQVKDVLERIGKLDLSKVTVHPTLGMEDPWNYRNKAQ----------VPVGEREGG-LVAGFYQQRSHDIIDM---S-----ACLIQQSKNDEAVQAVKDICANYGVKAYNEERHKGW-LRHIMVRYGVVTGEMMIVFITRTSDF-PHKAKIIEDITAQFPHVKSIVQNINPNKTNVIFGNETNVIWGEE---YIYDLIGDVKFAISARSFYQVNPEQTKVL-YDKALEYAELQGEETVIDAYCGIGTISLFLAKQAKKVYGVEIVPEAIEDAKRNAELNGNTN--AEFAVGEAETVIPKWYEEGITADTLVVDPPRKGCDE-----------ALLRTIVE-MKPKRVVYVSCNPG-----TLARDLRVL-EDGGYVTREVQPVDMFPHTNHVECCVLIKLKE 3VSE Chain:A ((16-360)) ------------------------------------------------------------------------------------------------------------------------------NGYPLIEEEDIYSQDHLKEGDIFQIVTDKSQYVATAYVGRQHKGLGWVLTYDKAQEINTAFFVKLFNTALAERDYYFNIDGTNAFRLFNAEGDGVGGLTIDNY---DGH-LLIQWYSKGIYKFKYAILEAVRKVFD-YKSIYEKVRFK----DSEYSGGFVEGDAPEFPIVIEENFTFYNVDLEDGLMTGIFLDQKEVRKKLRGQY--AKERHVLNLFSYTGAFSVIAASEASSTTSVDLANRSRSLTEENFGLNAIDPKSQYIYVMDTFDFYKYAARHGHSYDTIVIDPPSFARNKKRTFSVQKDYDKLINGALNILSSEGTLLLCTNASVYPLKQFKNTIKKTLEESGVDYELT----------------------

General information: TITO was launched using: RESULT: Template: 3VSE.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 : 1458 -127874 -87.71 -426.25 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -87.71 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_3VSE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VSE-query.scw PDB file : Tito_Scwrl_3VSE.pdb: