Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKIIVEGGQTRLQGQVVIEGAKNAVLPLLAATILPSQGKTLLTNVPILSDVFTMNNVVRGLDIQVDFNCDKKEILVDASGDILDVAPYEFVSQMRASIVVLGPILARNGHAKVSMPGGCTIGSRPIDLHLKGLEAMGATITQNGGDITAQAE-KLKGANIYMDFPSVGATQNLMMAATLASGTTTIENAAREPEIVDLAQLLNKMGAKVKGAGTETLTIIGVDALHGTEHDVVQDRIEAGTFMVAAAMTSGNVLVKDAIWEHNRPLISKLMEMGVEVSEEEDGIRVKADTKKLKPVTVKTLPHPGFPTDMQAQFTALMAVVNGESTMIETVFENRFQHLEEMRRMGLQTEILRDTAMIHGGRALQGAPVMSTDLRASAALILAGMVAQGQTVVGQLTHLDRGYYQFHEKLAALGANIKRVSEA |
3VCY Chain:A ((1-417)) | MDKFRIQGSDKPLSGEVTISGAKNAALPILFASLLAEE-PVEVANVPKLRDVDTTMELLKRLGAEVSRN---GSVHIDASGVNDFCAPYDLVKTMRASIWALGPLVARFGKGQVSLPGGCAIGARPVDLHIHGLEQLGATIKLEEGYVKAEVDGRLKGAHIVMDKVSVGATITVMCAATLAEGTTVLENAAREPEIVDTANFLNAIGAKVSGMGTDTITIEGVERLGGGYHEVVADRIETGTFLVAAAVSGGKIVCKNTKAHLLEAVLAKLEEAGADVQTGDDWISLDMTGRELKAVNIRTAPHPAFPTDMQAQFTLLNMMAKGSGIITETIFENRFMHIPELQRMGAHAEIEGNTAICGDTDGLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYDKIEDKLTALGANIERVHS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VCY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -270010 for 3961 contacts (-68.2/contact) +
2D Compatibility (PS) -44777 + (NN) -13126 + (LL) -156
1D Compatibility (HY) -34800 + (ID) 10500
Total energy: -373369.0 ( -94.26 by residue)
QMean score : 0.501
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