Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNYFSLCPEPFHGLISSYGIGSTSSTHPSGVAVKGQEYSAVKLVGEGGYSFVYEGYNNASGQRVALKRYVFSETQQQQGAVEEMSIYRDVCPNDYIVTYLDSEVVYRHGVPLPEMWVVMEFCDGPSLQEYINN-RLRSPQPFSVREVFEIVDNIVHAIGHLHSQSPPVSHWDIKPENFLFTDTGRLKLCDFGSATRQFYAPTSAEEVSAAESELGSRMTLLYRPPESLDLWSKDRVDTKADIWALGVIIYVLVFREMP-FDANPMEVMAAV----PKRYKGKTQEGCPEEFRALMDIVRTKMLTKKPADRADIFAISEELEGITHLPPLSRPRPGFQSAQRPRFA 4FIF Chain:A ((82-316)) --------------------------------------------IGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQ-HENVVEMYNSYLVGD------ELWVVMEFLEGGALTDIVTHTRMNEEQ------IAAVCLAVLQALSVLHAQG--VIHRDIKSDSILLTHDGRVKLSDFG------FCAQVSKEVPRRKSLVG---TPYWMAPE---LISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKNLHK--VSPSLKGFLD----RLLVRDPAQRA----------------------------------

General information: TITO was launched using: RESULT: Template: 4FIF.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 : 1077 -59522 -55.27 -259.92 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -55.27 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_4FIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIF-query.scw PDB file : Tito_Scwrl_4FIF.pdb: