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 1JJC 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: 1JJC.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 : 3965 72549 18.30 95.21 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : 18.30 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_1JJC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JJC-query.scw PDB file : Tito_Scwrl_1JJC.pdb: