Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MSASPSLQVTAFEGNRCIASGPLASVAEKIKEVLARGEAASVLVFDDQTGSQVDL--NLRTLSEAAQGMP-----------TPLIAPEPLESRNAGR----PRLGVVAR------EVTLLPRQW-EWLG------QQQGGASATLRKLVD---------------QARRENAGEEKIRAAREALYRFMTAMA------------GNAPGYEEALRALFAGDVH-RFSILTSDWATDVRKHVGKLAPAAFGYAPSPLDVVIPLTKREAVLRAFGTAEVQSIERITNGASGAGVFKVKANQVDYLLRIEGPPDGLRDPARQYACLKIAAEAGVAPRLVY----ADAESGVAVTDFIAPDSASVERSKADSLRRIVTAVRSLHDAPLFPELVD--YLDGVDTLIRSCMETGILPKRAIETHRKFYGELAAAYPRKNLDLVSSHNDLNPGNVLFQKERVWLVDWESA---FAADRYVDLAAIANFFT----TEENEKELVL------ESYFGAALNDLHRARFFLMQQANR-----MFYAMVVLNFVAAAEPAIKLTAAGMKGIRWSEVRGEMARINTTETKVRFAGALLNEALLAFQSPRFSQAVAQVKGSSKRRGA----------------------------------------------------------------------- 4M1K Chain:A ((6-688)) EYDLKRLRNIGIAAHID-----AG-KTTTTERILYYTGRIAAVTTCFWKDHRINIIDTPGHVDFTIEVERSMRVLDGAIVVFDSSQGVEPQSETVWRQAEKYKVPRIAFANKMDKTGADLWLVIRTMQERLGARPVVMQLPIGREDTFSGIIDVLRMKAYTYGNDLGTDIREIPIPEEYLDQAREYHEKLVEVAADFDENIMLKYLEGEEPTEEELVAAIRKGTIDLKITPVFLGSALK-NKGVQLLLDAVVDYLPSPLD--IPPIKGT-----TPEGEVVEIHPDPNGPLAALAFKIMAD----------PYVG------RLTFIRVYSGTLTSGSYVYNTTKGRKERVARLLRMHANHREEVEELKAGDLGAVVGLKETITGDTLVGEDAPRVILESIEVP-EPVIDVAIEPKTK-ADQEKLSQALARLAEEDPTFRVSTHPETGQTIISGMGELHLEIIVDRLKREFKVDANVGKPQVAYRETITKPVDVEGKFIRLTGGRGQYGHVKIKVEPLPRGSGFEFVNAIVGGVIPKEYIPAVQKGIEEAMQSGPLIGFPVVDIKVTLYDGSYHEVDSSEMAFKIAGSMAIKEAVQKGDPVILEPIMRVEVTTPEEYMGDVIGDLNARRGQILGMEPRGNAQVIRAFVPLAEMFGYATDLRSKTQGRGSFVMFFDHYQEVPKQVQEKLI

General information: TITO was launched using: RESULT: Template: 4M1K.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 : 2578 92424 35.85 184.85 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 35.85 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.156

(partial model without unconserved sides chains): PDB file : Tito_4M1K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4m1k-query.scw PDB file : Tito_Scwrl_4M1K.pdb: