Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIQL--AEDLQFSRVIHGLWRLNEWNYSDAELLSLIEWCIDHGITTFDHADIYGGYTCEKLFGNALALSPGLRENIELVTKCGIVLESPERPAHRSHHYNTSKSHILASVEQSLMNLRTDYIDMLLIHRPDPLMDPEGVAEAFQALKCSGKVRYFGVSNFKDHQYRMLESYLPE----KLVTNQIELSAYELENMLDGTLNLCQEKRIPPMAWSPLAGGKV--------------------------FTENTDKDRRVRTALESVQGEIGAASLDEVMYAWLYTHPAGIMPIVGSGKRERISAAINALSY--KLDQDQWFRIFTAVQGYDIP 1QRQ Chain:A ((1-325)) LQFYRNLGKSGLRVSCLGLGTWVTFGGQITDEMAEHLMTLAYDNGINLFDTAEVYAAGKAEVVLGNIIKKKGWRRSSLVITTKIF-------WGGKAETERGLSRKHIIEGLKASLERLQLEYVDVVFANRPDPNTPMEETVRAMTHVINQGMAMYWGTSRWSSMEIMEAYSVARQFNLIPPICEQAEYHMFQREKVEVQLPELFHKIGVGAMTWSPLACGIVSGKYDSGIPPYSRASLKGYQWLKDKILSEEGRRQQAKLKELQAIAERLGC-TLPQLAIAWCLRNEGVSSVLLGASNAEQLMENIGAIQVLPKLSSSIVHEIDSILGNKPY-

General information: TITO was launched using: RESULT: Template: 1QRQ.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 : 1596 -169918 -106.46 -583.91 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -106.46 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_1QRQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QRQ-query.scw PDB file : Tito_Scwrl_1QRQ.pdb: