Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAKRPLRKSGPCFDLAGLMDHAAPELQVQQKNEQELNKFFIDVDDNTVSPMITTGPSFCATNTAGLSSNNSTVELTAREMAGTGSSASVEKRTMVSSQNEAKFIHVNDTNIFVLIDGISMFVEGKSTFTGTEDARLLVERLRQKKLARSVDTVQEAILNIQMSADHCDRKETAPVVSAVPSGSPVVPAEASPRQSTANTLPTSVPPLQSAVAPTALPVPLPPPQPVPIANPWASLFEDAKVPSGSPLFRSFKAKSLGSTSSHGFPPVHSTLLCESAETGATPSSPATTISPVTVTTPTSALSPTTGFNASSRLTHSVSFPSLRHQDSSSSLLSATSGAGHRHGGHASRGAAARRTKQISAEEIGHSNCSLDMDEVAVEAMIGKGTQGTVFRVRLD--GKLYALKCMNIDEAMNATNDVERQGYKKGLVKELTMITLQRSRPSPAYLMQMFNAVASLD--AEKKQLSILMELMSFTVENIQQMVSRIPSEELMRVTQSTFRNYMSGDPSAKQSMKECCKDQLLYGSPRHALGRSTYKEPAAWEKNVKRETPMPEVLLSMLARDVLMGLNELHTDYSIIHCDLKPANVMLCYDQQKFKLADFGCGSVMEDHQHVERRGIDLGTILYKAPERFVANILHRIADIDDGGTGEAVVFTAKADVWSLGIMLMELAAGIHPCDQFKSDFWNYSTMLK---------------------LS-------KMVKPLNWSESFYDFILRSVCVDVSLRWSVQQLLKHPFIIKFNHVPREKLKLFVQRLEADSKTFHKRQQSELLKEQILLSTTRRHKDTFQLQSRKVWSTYTAYLKQAPPTKDQTMFPELRHT 1J1B Chain:B ((54-344)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDK--------------RFKNRELQIMRKLD--H-C-NIVRLRYFFYSSGEKKDEVYLNLVLDYVPETV--------------------------------------------------YRVARH-----------YSRAKQTLPVIYVKLYMYQLFRSLAYIHSF-GICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGE---PNVSYICSRYYRAPELIFGA----------------TDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVD-QLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELR-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1J1B.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 : 1148 -48170 -41.96 -185.98 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -41.96 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_1J1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1J1B-query.scw PDB file : Tito_Scwrl_1J1B.pdb: