Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVFASPSRYIQGKDALFQSIEHIKSLGQTPLILCDDVVYNIVGERFLSYLQDDLLPHRVSFNGEASDNEINRVVAVAKEKNSDLIIGLGGGKTIDSAKAIADKVNLPVVIAPTVASTDAPTSALSVIYTDEGAFEKYIFYSKNPDLVLVDTQVIAQAPKRLLASGIADGLATWVEARAVLQK---NGIAMAGGRQTLAGVAIAQACERTLFNDSLQALAACDAKVVTKALENVIEANTLLSGLGFESAGLAAAHAIHNGFTALSGDIHHLTHGEKVAYGTLTQLFLENRPKEEIDRYINLYQAIGMPTTLAELHLGDATYEELLKVGQQATIEGETIHEMPFKISAEDVAAALLTVDRYVSNHQ |
3UHJ Chain:A ((27-383)) | --AFGGPNKYIQRAGEIDKLAAYLAPLGKRALVLIDRVLFDALSERI-----S-LDIRFERFGGECCTSEIERVRKVAIEHGSDILVGVGGGKTADTAKIVAIDTGARIVIAPTIASTDAPCSAIAVRYTEHGVYEEALRLPRNPDAVVVDSALVAAAPARFLVAGIGDALSTWFEARSNIESRTDNYVA-GGFPATEAGMAIARHCQDVLTRDAVKAKIAVEAGLLTPAVENIIEANTLLSGLGFENCGCSAAHGIHDGLTVLE-EVHGYFHGEKVAFGTLCLLMLENRDRAEIEAMIRFCRSVGLPTKLADLGIVDDVPAKIGRVAEAACRPGNIIYATPVTITVPAVRDAILALDAFSRSI- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UHJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191930 for 3344 contacts (-57.4/contact) +
2D Compatibility (PS) -37666 + (NN) -16667 + (LL) 740
1D Compatibility (HY) -28800 + (ID) 7500
Total energy: -281823.0 ( -84.28 by residue)
QMean score : 0.582
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