Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRQSGVLMHISSLPGAYGIGSFGQSAYDFVDFLVRTKQRYWQILPLGATSYGDSPYQSFSAFAGNTHFIDLDILVEQGLLEASDLEGVDFGSDASEVDYAKIYYARRPLLEKAVKRFFE-VGDVKD-FEKFAQDNQ--SWLELFAEYMAIKEYFDNLAWTEWPDADARARKASALESYREQLADKLVYHRVTQYFFFQQWLKLKAYANDNHIEIVGDMPIYVAEDSSDMWANPHLFKTDVNGKATCIAGCPPDEFSVTGQLWGNPIYDWEAMDKDGYKWWIERLRESFKIYDIVRIDHFRGFESYWEIPAGSDTAAPGEWVKGPGYKLFAAVKEELGELNIIAEDLGFMTDEVIELRERTGFPGMKILQFAFNPEDESIDSPHLAPANSVMYTGTHDNNTVLGWYRNEIDDATREYMARYTNRKEYETVVHAMLRTVFSSVSFMAIATMQDLLELDEAARMNFPSTLGGNWSWRMTEDQLTPAVE---EGLLDLTTIYRRINENLVDLKK 5CPS Chain:B ((69-564)) --RRRAGVLLHPTSFRGPHGIGDLGEEAFRFIDWLHSTGCSVWQVLPLVPPDEGGSPYAGQDANCGNTLLISLDELVKDGLLIKDELPQP---IDADSVNYQTANKLKSPLITKAAKRLIDGNGELKSKLLDFRNDPSISCWLEDAAYFAAIDNTLNAYSWFEWPEP-LKNRHLSALEAIYESQKEFIDLFIAKQFLFQRQWQKVREYARRQGVDIMGDMPIYVGYHSADVWANKKHFLLNKKGFPLLVSGVPP-----TGQLWGSPLYDWKAMESDQYSWWVNRIRRAQDLYDECRIDHFRGFAGFWAVPSEAKVAMVGRWKVGPGKSLFDAISKGVGKIKIIAEDLGVITKDVVELRKSIGAPGMAVLQFAFGGGADNPHLPHNHEVNQVVYSGTHDNDTIRGWW-DTLDQEEKSKAMKYLSIAGEDDISWSVIQAAFSSTAQTAIIPMQDILGLGSSARMNTPATEVGNWGWRIPSSTSFDNLETESDRLRDLLSLYGRL---------

General information: TITO was launched using: RESULT: Template: 5CPS.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 : 2663 -49969 -18.76 -103.24 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -18.76 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_5CPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CPS-query.scw PDB file : Tito_Scwrl_5CPS.pdb: