Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIQLA-EDLQFSRVIHGLWRLNEWNYSDAELLSLIEWCIDHGITTFDHADIYGGYTCEKLFGNALALSPGLRENIELVTKCGIVLESPERPAHRSHHYNTSKSHILASVEQSLMNLRTDYIDMLLIHRPDPLMDPEGVAEAFQALKCSGKVRYFGVSNFKDHQYRMLESYL----PEKLVTNQIELSAYELENMLDGTLNLCQEKRIPPMAWSPLAGGKVFTENTDK--------------------------DRRVRTALESVQGEIGAASLDEVMYAWLYTHPAGIMPIVGSGKRERISAAINALSY--KLDQDQWFRIFTAVQGYDIP 3EAU Chain:A ((3-323)) QFYRNLGKSGLRVSCLGLGTWVTFGGQITDEMAEHLMTLAYDNGINLFDTAEVYAAGKAEVVLGNIIKKKGWRRSSLVITTKIFWGGKA-------ETERGLSRKHIIEGLKASLERLQLEYVDVVFANRPDPNTPMEETVRAMTHVINQGMAMYWGTSRWSSMEIMEAYSVARQFNLIPPICEQAEYHMFQREKVEVQLPELFHKIGVGAMTWSPLACGIVSGKYDSGIPPYSRASLKGYQWLKDKILSEEGRRQQAKLKELQAIAERLG-CTLPQLAIAWCLRNEGVSSVLLGASNAEQLMENIGAIQVLPKLSSSIVHEIDSILGN----

General information: TITO was launched using: RESULT: Template: 3EAU.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 : 1643 -182941 -111.35 -635.21 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -111.35 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_3EAU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EAU-query.scw PDB file : Tito_Scwrl_3EAU.pdb: