Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVFASPSRYIQGKDALFQSIEHIKSLGQTPLILCDDVVYNIVGERFLSYLQDDLLPHRVS-FNGEASDNEINRVVAVAKEKNSDLIIGLGGGKTIDSAKAIADKVNLPVVIAPTVASTDAPTSALSVIYTDEGAFEKYIFYSKNPDLVLVDTQVIAQAPKRLLASGIADGLATWVEARAVLQKNGIAMAGGRQTLAGVAIAQACERTLFNDSLQALAACDAKVVTKALENVIEANTLLSGLGFESAGLAAAHAIHNGFTALSGDIHHLTHGEKVAYGTLTQLFLENRPKEEIDRYINLYQAIGMPTTLAELHLGDATYEELLKVGQQATIEGETIHEMPFKISAEDVAAALLTVDR----YVSNHQ |
4MCA Chain:B ((2-366)) | LRIIQSPGKYIQGANALAAVGQYAKSLADHYLVIADDFVMKLAGDTLMGSLQQHGVKHHAALFNG--CHKEIDRLGRELKAHGCRGVIGVGGGKTLDTAKAIAHYQQLPVVLIPTIASTDAPTSALSVIYTEQGEFAEYLIYPRNPDMVVMDVAIIAKAPVRLLVAGMGDALSTYFEAQACFDAQATSMAGGKSTLAALSLARLCYDTLLAEGVKAKLAVEAGVVTEAVERIIEANTYLSGIGFESSGLAAAHAIHNGFTVLE-ECHHLYHGEKVAFGTLAQLVLQNSPMAQIETVLAFCHRIGLPITLAEMGVSGDAVEKIMAVAQASCAAGETIHNMPFKVTPAGVQAAILTADRLGSAWLQQH- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MCA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216403 for 3357 contacts (-64.5/contact) +
2D Compatibility (PS) -39110 + (NN) -20579 + (LL) 196
1D Compatibility (HY) -36400 + (ID) 8650
Total energy: -320946.0 ( -95.61 by residue)
QMean score : 0.576
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