Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MNNWSFGIDNDKLIGLVLEGKKTATSS-----LYNFDKI--PVIG-KESIIHFDN-EKDACIVETVDYKIIKYNEMTEELAKLEGEGDLSLNYWKQVHLNFFKSVNPNFKEDDKIIFEIFKVTKNLVEERLKLGKSIASKNTDLLGNIV-KVEEINSGFN-NTLFNINDKYVIKVCT-NKELENTFENEKDFYLSNKDNCFIPKLYKY-DDSKVDCDYIYEVIEKIKG--------KTLYYYWYKMN----EADREKTIEKLID-IIKKFHSVNGKEYDWK-NKIKGEIKNRIIKCKKYFKIKDYNMILESIDKYDEYLSDNKFALIHNDLHFDNVIYNNGKLTII-DFNDSIQAPIDFEF--RLLYMCQEQPWK----WADIEMDPYQKPEDYKNIWNYIKKYYKELNEIKFLEQRMIIYRIWNDTGHLKKYHNVELTKGIVENSKKLI 4W9R Chain:A ((4-363)) QVISETFSSGRLNRKQKIGIYKPEKYTDRQAYPLIVVLNAETLMEPVVSMVRYYEQFGEMPK--CIVVGVYEPKQEDVTVVEEVGRPINESARFFEFVSAELVPYIQGKYP----------------------IADLKGVIASEEAGFLANYYMLAEK-KPTFNMIVSLNP-----VALPRMGEEFSHALAAGVP-----------NRLFYYMATADVENKVVYDKAIQFERAMRSAPVHESVEYHFVDFKGSSVNAAKLQGIAQALDMCFDIYKPIGGKEFKTQMETLE--------------------------TGIYEYL-ENKYNTIYKQLGVKKVPILND----VMATYTAINSSQDWESLKKLAKYVESNGYLKTAMPNFFLAEYYEKIGDDKKALKTYQKAYTEPN-IDFITGDLINERI----THLQAT-----------------

General information: TITO was launched using: RESULT: Template: 4W9R.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 : 1674 112484 67.19 349.33 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 67.19 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_4W9R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4w9r-query.scw PDB file : Tito_Scwrl_4W9R.pdb: