Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYANLLKPLHLGFTTIKNRVVMGSMHTGLEDRFFNYPK--LAAYFEERAKGGVGLIVTGG--ISPNRQGWLAPAGGTMNSLFDIPQHRLVTHAVHKHGSKILMQILHAGRY-------GYQPFVVSSSPIKSP---------------ISPFKPRQLSEKNILSTIEDYAQCADIAKKAGYDGVEIMGSEGYLINQFLSRHVNQRTDRWGGEIENRMRFPVEIVKAIRAKVGEKFIICFRLSLLDLVH---DGNTMQEVVTVAKALEKAGVTLLNTG-IGWHEARVPTIVTSVPRAAFVDYTAHVKQHISIPVIASNRINMPETAEEILATGKADMIQMARPLLADAFWVNKTATNRVDEINTCIACNQACLDHAFKNKRVSCLVNPRAGHETELVYLKTKQPKRIAVVGGGVAGMSAATVAASRGHAVTLFEANADVGGQFNFAKVVPGKEEFHETIRYFKVQLQKTGVDVRLNTRVNREQLEREGFDEVIVATGVVPRALKIEGSNSPQVLSYAQVLQGAEVGRKVAVIGAGGIGFDVSEFLLKPPHQPQSQPLAEWQREWGVDPDPNYVSEGGMQPPVVEPAIREIYLLQRKTTPLGVGLGKTSGWVHRAQLKKHGVRMLRGVQYKAVTDEGLWIEHNGQDQLLRVDTVVVCAGQESVKDLMPKEGESTIANYHIIGGAKLAAELDAKRAIKEGAELAAQL 4AWU Chain:A ((4-328)) -----SLFQPITLGALTLKNRIVMPPLTRSRASQPGDVANHMMAIYYAQRASAG--LIVSEGTQISPTAKGYAWTPG--IYTPEQIAGWRIVTEAVHAKGCAIFAQLWHVGRVTHPDNIDGQQP--ISSSTLKAENVKVFVDNGSDEPGFVDVAVPRAMTKADIAQVIADYRQAALNAMEAGFDGIELHAANGYLINQFIDSEANNRSDEYGGSLENRLRFLDEVVAALVDAIGAER-VGVRLAPLTTLNGTVDADPILTYTAAAALLNKHRIVYLHIAEVDWDDA--PDTPVSFKRA--------LREAYQGVLIYAGRYNA-EKAEQAINDGLADMIGFGRPFIAN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AWU.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 : 1821 -6705 -3.68 -22.73 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -3.68 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_4AWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AWU-query.scw PDB file : Tito_Scwrl_4AWU.pdb: