Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGTVDAIDYDGDRLHKVVLRFPAVRSGESEIVKEVWPCERIGQGSFGTVYRAVS-SDYPRLALKISTGKST--RLRQELDVLSRVCTKGRLLLPRFEFGALNKTADLIVIGMELCVPSTLHDLLLSTRITSEAEMLFMAHQAVQAVSYVHAEGCIHRDIKLQNFVF---DLDGNLKLIDFGLACNSLKPPAG-DVVAGTVSFMSPEMAHNALHKDRRVSVGVAADVWSLGIVLFSIFTQRNPYPAPETPAPAAGSTPGGAGAAGVTGRGDITHGAEGEKGNDLSQQHRMNERLLRRVAAGDWQ-WPVGVTVSQDLKQLVNSILVVNPEERPSVSTILENKLWNLRRRYPPAAVAAFLGVQDDFLLSHDEAHLMRAVEERSAGVAASLRNSRLHSPASASNEDNGETDAQHSSSGSARNGGLNTSGATTSPARSSLKVVQRCGEGGIDGAVTVQVYDVRASTRKRSKPIREISVVMAEETAKTRRSKSARRATGAVSAPSSRVVSRAASTEYSRRIAPPAGARLQSSAAHTCANSGDDEGEAEAEAVNRGTSTSQRHSRGMSPVRLQDALETAGSVAAGQRDSVGHPKALVEPSCATPPLLTSGKQQPLSEHMRPDIQRSGSVELLEDAEAPTEASAMPTSHKRAASSGKKRRDASLRQPSSLILKGSTRDLSADAPRSTTTAASTQASTSLLASRTTLPLSAVNPSPSSSRQASLRRQASASAAAVSSAQGCAGHRGSSPVMKRAQRVALELGLDVIWHDEADHRRALSAMLLIEHAWLLASFRLTIEEDQERYSITWLAEEQEKSAAHPHRFKEVMQVMSKKYQYGFVCDMCDYEFLPTGPGEKDLHFFHCPCGRDLCPDCYTAYQRQCTCSCCRAVHSNSCVLREHLLLTGGTQYYSGSRKTNAAARADAVRGSFQAAASLNEEAESGDEASAPPEPPRRRGRPPKQDKNRSAVKQKGSRAAKDSSRRRRGAQDTLDVSVDDAHEVEQINLPRISIAAMQQQEERSSNGSHRGGGTAAVGVAPRPQRPEDVEVKQRPVESVPEGPWRPFARFKKDRRDEVAQQPTPEERDALLNGEWIRHFYLFPQAEPERVAASGTWAEGEEEPYAFVYHAQPGRTGAIFLTSDFPMHSAVFSMLERQFFVVNQVDTVEGVDSTRATSLLKAKGHPELRIAFHALQDIVAYDTNMMKQQRTPGTVSVYQAPRSAYSCNGEPFLYVRWFRFNENRTLSAFLLSNGAVQVFVNNEYELRWFDESRKFLIRYNGVCELVDDGTFALAPGINHLLYDSFDA 4XHG Chain:A ((2-397)) ----------------------------DLRVGRKFRIGRKIGSGSFGDIYHGTNLISGEEVAIRLESIRSRHPQLDYESRVYKYL--SGGVGIPFIRWF--GREGEYNAMVIDLLGPSLEDLFNYCHRKFSFKTVIMLALQMICRVQYIHGRSFIHRDIKPDNFLMGVGRRGSTVHVIDFGLSKKYRDFNTHRHIPYRENKSLTGTARYASVNTHLGIEQSRRDDLESLGYMLIYFCKGSLPWQGLKAT-------------------------------TKKQKYDRILEKKLCISVETLCAGLP------LEFSEYMNYCRNLKFDERPD-YLYLARLFKDLSIKL---------EYHNDHLFDWTMLRYTKAMVEKKNDSFNKVKLLAMKKFASHFHYCKNDDKHYPTPEEIKQQTVQNNNAAPELLSAIDK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XHG.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 : 1727 8204 4.75 23.51 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 4.75 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_4XHG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XHG-query.scw PDB file : Tito_Scwrl_4XHG.pdb: