Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRIPVINTSHLDRIDELLVDNIDTGEFKLHRSVFTDEALFDLEMKYIFEGNWVYLAHESQIPNNNDYYTTYIGRQPIIIARNRNGELNAMMNACSHRGAQLCRYKRGNKATYTCPFHGWTFNNSGKLLKVKDPTDAGYSDCFNQDGSHDLKKVA----RFESYKGFLFGSLNPDVPSLEEFLGETTKIIDMIVDQSEHGLEVLRGSSTYTYEGNWKLTAENG-ADGYHVSAVHWNYAATTQHRKETQAADNIRA------MSAGSWGKQGGGSYGFENGHMLLWTQWANPEDRPNFPKADEYTEKYGEAMSKWMIERSR------NLCLYPNVYLMDQFGSQ-IRVLRPLSVNRTEVTIYCIAPK-GEARARRIRQYEDF--FNASGMATPDDLEEFRACQAGYAGIALEWNDMCRGSKHWIYGPDDAANEIGLKPMLSGIKTEDEGLYLAQHQYWLKTMKHAIATEKEIADQGETA 2GBW Chain:C ((6-362)) -----------------TLVDTVNASQ---SRQVFWDEDVYALEIERIFSRAWLMLGHESLVPKPGDFITTYMAEDKVILSHQSDGTFRAFINSCSHRGNQICHADSGNAKAFVCNYHGWVFGQDGSLVDV--PLE---SRCYHN--SLDKQKLAAKSVRVETYKGFIFGCHDPEAPSLEDYLGEFRYYLDTIWEGAGGGMELLGPPMKSLLQCNWKVPAENFIGDGYHVGWTH--AAALSQIGGELAGLAGNRADIPFDDLGLQFTTRHGHGFGVIDNAAAGLHIK------REGWTKFLEDTR--GEVRRKFGPERERLYLGHWNCSIFPNCSFL--YGTNTFKIWHPRGPHEIEVWTYTIVPRDADPATKSMIQREAIRTFGTAGTLESDDGE----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GBW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1698 -36600 -21.55 -108.93 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain C : 0.74 3D Compatibility (PKB) : -21.55 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_2GBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GBW-query.scw PDB file : Tito_Scwrl_2GBW.pdb: