Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEEN-QVWSVF------------LYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKA--FLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM 3R9B Chain:B ((16-388)) -------QGLLLQLLDPATRAD---PYPIYDRIRRGGPLALPEANLAVFSSFSDCDDVLRHPSSCSDRTKSTIFQRQLA---------PA--SFLFLDPPDHTRLRGLVSKAFAPRVIKRLEPEITALVDQLLDAVDG-PEFNLIDNLAYPLPVAVICRLLGVPIEDEPKFSRASALLAAALDPFLALTGETSDLFDEQMKAGMWLRDYLRALIDERRRTPGEDLMSGLVAVEESGDQLTEDEIIATCNLLLIAGHETTVNLIANAALAMLRTPGQWAALAADGSRASAVIEETMRYDPPVQLVSRYAGDDLTIGTHTVPKGDTMLLLLAAAHRDPTIVGAPDRFDPDRAQIRHLGFGKGAHFCLGAPLARLEATVALPALAARFP-------------------------

General information: TITO was launched using: RESULT: Template: 3R9B.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 : 1609 -196508 -122.13 -563.06 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -122.13 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3R9B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R9B-query.scw PDB file : Tito_Scwrl_3R9B.pdb: