Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFVSYKWLEDYVDLKGMDPAVLAEKITRAGIEVEGIEYKGEGIKGVVIGHVLEREQHP-NADKLNKCLVDIGAEAPVQIICGAPNVDKGQKVAVATVGAVLPG-NFKIKKAKLRGEESNGMICSLQELGIESKLVAKEYAEGIFVFPNDAETGSDALAALQLDDAILELGLTPNRADAMNMLGVAYEVAAILDTEVKLPQTDYPAASEQASDYISVKIEDQEANPLYTAKIIKNVTIAPSPLWMQTKLMNAGIRPHNNVVDITNFVLLEYGQPLHAFDYDRFGSKEVVVRKAAENEMIVTLDDQERKLSADHLVITNGTKAQA----VAGVMGGAESEVQEDTKTILLEAAYFNGQKVRKASKDLGLRSESSVRFEKGIDPARVRLAAERAAQLIHLYAGGEVLAGTVEEDHLTIEANNIHVSADKVSSVLGLTISKEELISIYKRLGFTVGEADDLLVVTVPSRRGDITIEEDLIEEAARLYGYDNIPSTLP---ETAGTTGGLTPYQAKRRKVRRFLEGAGLSQAITYSLTNEKKATAFAIEKSLNTVLALPMSEERSILRHSLVPNLLDSVSYNL-ARQTDSVALYEVGSVFLTKEEDTKPVETERVAGAVTGLWRKQLWQGEKKPVDFFVVKGIVEGLLDKLNVLDSIEFVQSERKQLHPGRTANILLNGSLIGFIGQVHPSLEKELDIKETYVFELDLHALLAAETAPLVYTAIPKYPSVTRDIALVTDKTVTSGQLESVIKEAGGKLLKEVTVFDVYEGEHMEEGKKSVAFSLQYVNPEQTLTEEEVTKAHSKVLKALEDTYQAVLRG 2ALY Chain:B ((1-772)) MRVPFSWLKAYVP-ELESPEVLEERLAGLGFETDRIERVFPIPRGVVFARVLE--AHPIPGTRLKRLVLDAGRT--VEVVSGAENARKGIGVALALPGTELPGLGQKVGERVIQGVRSFGMALSPRELGV------GEYGGGLLEFPEDALPPGTPLSEAWPEEVVLDLEVTPNRPDALGLLGLARDLHAL---GYALVEPEAALKAEALPLPFALKVEDPEGAPHFTLGYAFGLRVAPSPLWMQRALFAAGMRPINNVVDVTNYVMLERAQPMHAFDL-RFVGEGIAVRRAREGERLKTLDGVERTLHPEDLVIAGWRGEESFPLGLAGVMGGAESEVREDTEAIALEVACFDPVSIRKTARRHGLRTEASHRFERGVDPLGQVPAQRRALSLLQALAGARVAEALLEAGS-PKPPEAIPFRPEYANRLLGTSYPEAEQIAILKRLGCRVEGEGPTYRVTPPSHRLDLRLEEDLVEEVARIQGYETIPLALPAFFPAPDNRGVEAPYR-KEQRLREVLSGLGFQEVYTYSFMDPEDARRFRLDPPRLLLLNP-LAPEKAALRTHLFPGLVRVLKENLDLDRPERALLFEVGRVFREREET-------HLAGLLFGEGVGLPWAKERL-SGYFLLKGYLEALFARLGLAFRVE--AQAFPFLHPGVSGRVLVEGEEVGFLGALHPEIAQELELPPVHLFELR----LPLPDKPLAFQDPSRHPAAFRDLAVVVPAPTPYGEVEALVREAAGPYLESLALFDLYQGPPLPEGHKSLAFHLRFRHPKRTLRDEEVEEAVSRVAEAL----------

General information: TITO was launched using: RESULT: Template: 2ALY.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 : 3934 82741 21.03 108.58 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : 21.03 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_2ALY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ALY-query.scw PDB file : Tito_Scwrl_2ALY.pdb: