Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTQREQLIHTWLTSVLEN-------DQFQIAYLAGDASFRRYARIQLQ---------NKTYMLMDAPPE--KEDCVPFVTIDEFFAGHGVRVPQIVAKDLNQGFLLLEDFGDVLLSTLLNDETVDQYYEQSFKQLIHLQSINGAEHF-PAYSYEKLLSEMQLLTDWMLPSLDIHPTAE------QKKTIDDAFDFLAQAA--LAQPQVIVHRDFHSRNLMKIANEEELGVIDFQDAVIGADTYDLISITRDAYVQ----------------WNAERVYQWFKVFYELLPASAKQNRSFDQFKRDADLMAIQRHIKILGIFVRLFERDGKSGYLKDLPRVMWYLLEESRGYHELDDFMAFIHSSVMPKFIEKYGPYEVAA 1NW1 Chain:B ((53-358)) -----KERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLF-LCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLG-PKLYGIF--SGGRLEEYIPSRPLSCHEIS--LAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK---RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQG------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NW1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 938 -11932 -12.72 -51.21 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -12.72 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.291

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: