Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKISENWLRTWVNPAIDSDTLSDQLTMLGLEVDELAPVAKPFTGVVVGEVLTVEQHPDADRLRVTTVNIGSGEPLQIVCGAPNVRAGMKAPVATIGAVLPG-DFKIKKGKLRGVESQGMLCGASEINLEDKIDGLLELPADA-PVGVNIREYLKLDDNVIDISITPNRGDCFSIRGIAREVAVINQLQMNEPEIK-SVDATITDEKKVVINTDGAPRYLGRVIKNVNVKAGTPEWMEQALARSGIRTHSILVDVTNYVLMELGQPMHAFDLAKIEGTVHVRQAQPQEKLQLLNDQEVELQEDVMVIA----DDQKALAIAGIMGGLASSVTDDTTDIFLESAFFAPLAIAGRARRFGLHTDSSQRYERGVDFELPLIAMNRASQLIQELAGGEFGPITVAEKSDLLPKREAIELKQVQVDQLLGYKVAAEFITDALTRLGCEVTVQANGEWSVVPPSHRYDMAIYQDLIEEVARIDGYDNIQISLPSM----DVQLAKYQDRFEIAQLRQTVVTLGYQEAISFSFADAKLEKQLNPQVSPLMLANPISSDLAAMRSTLLSSLIPCVQYNLN-RQQSRVRFFELGLRFDYQNANSIQDLKQIPTLALVAVGSREPESWHAKPQPMDFFDFKGEVEEILA----AGRVKVEYVRSERPWLHPGQSAEILVDGQSIGYLGRLHPSLENELDLSTTWVAELDQAAVLQSYVSNFTELSRFPSVRRDIALLISDNINVRDIQQLIEKTGGELLDSTWLFDVYTGQGVEEGKRSLAFALLWQHPSRTLEDAEIKSGMDNIIQVLENTYQATLRAS 4TVA Chain:B ((1-772)) MRVPFSWLKAYVPELESPEVLEERLAGLGFETDRIERVFPIPRGVVFARVL--EAHPIPG-TRLKRLVLDAGRTVEVVSGAENARKGIGVALALPGTELPGLGQKVGERVIQGVRSFGMALSPRELGVGEYGGGLLEFPEDALPPGTPLSEAWP-EEVVLDLEVTPNRPDALGLLGLARDLHALG-YALVEPEAALKAEALPLPFALKVEDPEGAPHFTLGYAFGLRV-APSPLWMQRALFAAGMRPINNVVDVTNYVMLERAQPMHAFDLRFVGEGIAVRRAREGERLKTLDGVERTLHPEDLVIAGWRGEESFPLGLAGVMGGAESEVREDTEAIALEVACFDPVSIRKTARRHGLRTEASHRFERGVDPLGQVPAQRRALSLLQALAGARVAEALLEAGSPKPP--EAIPFRPEYANRLLGTSYPEAEQIAILKRLGCRVEGEGP-TYRVTPPSHRLDLRLEEDLVEEVARIQGYETIPLALPAFFPAPDNRGVEAPYRKE-QRLREVLSGLGFQEVYTYSFMDPEDARRFRLDPPRLLLLNPLAPEKAALRTHLFPGLVRVLKENLDLDRPERALLFEVGRVFREREETHLAGL-------LFGEGVGLP--W-AKERLSGYFLLKGYLEALFARLGLAFRVEAQAF----PFLHPGVSGRVLVEGEEVGFLGALHPEIAQELELPPVHLFELRLP--LPDKPLAFQDPSRHPAAFRDLAVVVPAPTPYGEVEALVREAAGPYLESLALFDLYQGPPLPEGHKSLAFHLRFRHPKRTLRDEEVEEAVSRVAEAL-----------

General information: TITO was launched using: RESULT: Template: 4TVA.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 : 3949 6850 1.73 9.06 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : 1.73 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_4TVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TVA-query.scw PDB file : Tito_Scwrl_4TVA.pdb: