Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPELQRSITWIQGTALTIGAVLGCGILILPSVTADTAGPASLFVWVFMSFLSFFLVGTLARLVKI-------APSAGGIT----AYVQLAFQKKAGAILGWIMLGSVPIGVPIIALTGAHYVSYITEAADWQITLIAGCMLAISILLHMRGIQLSANISTLVICVIVFLLVTSIAVSLPHVTIAEFKPFLPHGWSAAGSVSVMIFFSFVGWEMITPLAEEFHRPEKDVPLSLFLAASCVAGLYIMLSFVTVGTHSYGENGEIASLAMLISKGAGESGVYVTVCLALFITFATIHANIAGFSRMVYALAREGHIPVFFGKLSATKRTPIRVLTAMAAVFGLVLAAH---GLFQIDLTTLLKGPSAAFIASYICTMAAALKLLGRRDIGWWMALGAFVACAVIYSFSGWALLYPAVLAAAGYFYMKTKGGHKKKLDHVL 2XBG Chain:A ((38-345)) AIPALDYNP-WEAIQ--------------LPT-------TATILDMSFIDRHHGWLVGVNATLMETRDGGQTWEPRTLVLDHSDYRFNSVSFQGNEGWIVGEP---------PIMLHTTDGGQSWSQIPLDPKLPG------------SPRLIKALGNGSAEMITNVGAIYRTKDSGKNWQALVQEAIGVMRNLNRSPSGEYVAVSSRGSFYSTWEPGQTAWEPHNRTTSRRLHNMGFTPDGRLWMIV----------NGGKIAFSDPDNSENWGE-------------LLSPLRRNSVGFLDLAY-------------------RTPNEVWLAGGA--GALLCSQDGGQTWQQD-VDVKKVPSNFYKILFFSP-----------DQGFILGQK------------GILLRYVTDLTAA-------------------

General information: TITO was launched using: RESULT: Template: 2XBG.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 : 1671 -241879 -144.75 -822.72 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -144.75 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_2XBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XBG-query.scw PDB file : Tito_Scwrl_2XBG.pdb: