Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAADPTVPYAGLSPERILEALES-VGLR------PDGRLLAL-NSYENRVYQVGME--------ESAPLVAKFYRPGRWTREAILEEHRFVQQLADAEIPAVPPLAFAAEFVGQLADDRGSCTLPEYGGFAFAVFPRCPGRVPAL---DQPDTLQWMGRFLGRIHALGTLEPYRHRLTLD-IDSFGHAPRDWLLAHD--MIPPE------LLPAWRSVVDQALEAVQACHARAGNVNLLRLHGDCHAGNVLWIDEADAPRYGAGALPGPHFVDFDDSCMGPAVQDLWMLLSGDR-----------------AAMTRQLGDILAGYEDFCSFD---------PRELHLVEALRTLRLIHYSGWLARRWDDPAFKAAFPWFDTPRYWQDRILELREQVALMQEPPLVA 1NW1 Chain:B ((54-421)) --------------ERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNP-ETESHLVAESVIFTLLSERHLG-PKLYGIF-------------------S--GGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISL-----SKSPVTFCHNDLQEGNILLPK-------------RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELS--PV---GFGFADYGRDRLSLYFKHKQL--------

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 : 1165 -19595 -16.82 -68.99 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -16.82 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.370

(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: