Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGIIRFLLVSFVLFFALSTGITGVQAAPASSKTSADLEKAEVFGDIDMTTSKKTTVIVELKEKSLAEAKEAGESQSKSKLKTARTKAKNKAIKAVKNGKVNREYEQVFSGFSMKLPANEIPKLLAVKDVKAVYPNVTYKTDNMKDKDVTISEDAVSPQMDDSAPYIGANDAWD-LGYTGKGIKVAIIDTGVEYNHPDLKKNFGQYKGYDFVDNDYDPKETPTGDPRGEATDHGTHVAGTVAANGT---IKGVAPDATLLAYRVLGPGGSGTTENVIAGVERAV--------------------QDGADVMNLSLGNSLNNPDWATSTALDWAMSEGVVAVTSNGNSGPNGWTVGSPGTSREAISVGATQLPLNEYAVTFGSYSSAKVMGYNKEDDVKALNNKEVELVEAGIGEAKDFEGKDLTGKVAVVKRGSIAFVDKADNAKKAGAIGMVVYNNLSGEIEANVPGMSVPTIKLSLEDGEKLVSALKAGETKTTFKLTVSKALGEQVADFSSRGPVMDTWMIKPDISAPGVNIVSTIPTHDPDHPYGYGSKQGTSMASPHIAGAVAVIKQAK-------------PKWSVEQIKAAIMNTAVTLKDSDGEVYPHNAQGAGSARIMNAIKADSLVSPGSYSYGTFLKENGNETKNETFTIENQSSIRKSYTLEYSFNGSGISTSGTSRVVIPAHQTGKATAKVKVNTKKTKAGTYEGTVIVREGGKTVAKVPTLLIVKEPDYPRVTSVSVSEGSVQGTYQIETYLPAGAEELAFLVYDSNLDFAGQAGIYKNQDKGYQYFDWDGTINGGTKLPAGEYYLLAYAANKGKSSQVLTEEPFTVE 3WIU Chain:A ((25-395)) -------------------------------------------------------------------------------------------------IGGHIVYQFK-LIPAVVVDVPANAVGKLKKMPGVEKVEFDHQAVLLGKPS-WLGGGSTQPAQTIPWGIERVKAPSVWSITDGSVSVIQVAVLDTGVDYDHPDLAANIA--WCVSTLRGKVSTK----LRDCADQNGHGTHVIGTIAALNNDIGVVGVAPGVQIYSVRVLDARGSGSYSDIAIGIEQAILGPDGVADKDGDGIIAGDPDDDAAEVISMSLGGPAD--DSYLYDMIIQAYNAGIVIVAASGNEGAP--SPSYPAAYPEVIAVGAIDS--------------------------------------------------------------------------------------------------------------------------------------NDNIASFSNRQP---------EVSAPGVDILSTYPDD------SYETLMGTAMATPHVSGVVALIQAAYYQKYGKIAPVGTFDDISKNTVRGILHITADDLGPT----GWDADYGYGVVRAALAVQA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WIU.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 : 2257 -11354 -5.03 -33.99 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -5.03 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_3WIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WIU-query.scw PDB file : Tito_Scwrl_3WIU.pdb: