Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEDVQAVRGYLERSGWLE------GIREVRFLAAGEYNENHYVRAS---------GGEYVLRINHGSQLGLGREQIGYEFSVLSAVAPSGVTPRPYRVDPWPEGLSGGTLLMDYLPGRPLDY-----SHDLERAARILARVHALPPDDGLIRQDRAVLDIVAESEGLLDRYPDHP-------RPE-------MRDRLLAYRDDVLTLNERSRDFLASEPPVMVNTEVNSGNFIMSHMDGRHGKGDFLVDWEKAVVSTRHQDLGHFLAPTTTLWKT----------DTQLDREQREAFLSAYRRELLLLGAAA--PDMDALREGSAILERTILLRALSWSHMAYCEYTRAERAIRNADTLAKIRQYLDNAECFLTWKE 1NW1 Chain:A ((52-396)) --LKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETE---SHLVAESVIFTLLSERHLGPKLYGIF-------SGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEP--DY---LCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHIS-----LSKSPVTFCHNDLQEGNILLPK-------RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVE---------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1118 15663 14.01 58.22 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 14.01 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.349

(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: