Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKIIVEGGQTRLQGQVVIEGAKNAVLPLLAATILPSQGKTLLTNVPILSDVFTMNNVVRGLDIQVDFNCDKKEILVDASGDILDVAPYEFVSQMRASIVVLGPILARNGHAKVSMPGGCTIGSRPIDLHLKGLEAMGATITQNGGDITAQAEK--LKGANIYMDFPSVGATQNLMMAATLASGTTTIENAAREPEIVDLAQLLNKMGAKVKGAGTETLTIIGVDALHGTEHDVVQDRIEAGTFMVAAAMTSGNVLVKDAIWEHNRPLISKLMEMGVEVSEEEDGIRVKADTKKLKPVTVKTLPHPGFPTDMQAQFTALMAVVNGESTMIETVFENRFQHLEEMRRMGLQTEILRDTAMIHGGRALQGAPVMSTDLRASAALILAGMVAQGQTVVGQLTHLDRGYYQFHEKLAALGANIKRVSEA |
5BQ2 Chain:C ((9-427)) | MDKLIITGGN-RLDGEIRISGAKNSALPILAATLLADTPVTV-CNLPHLHDITTMIELFGRMGVQPIID-EKLNVEVDASSIKTLVAPYELVKTMRASILVLGPMLARFGEAEVALPGGA-IGSRPVDLHIRGLEAMGAQIEVEGGYIKAKAPAGGLRGGHFFFDTVSVTGTENLMMAAALANGRTVLQNAAREPEVVDLANCLNAMGANVQGAGSDTIVIEGVKRLGGARYDVLPDRIETGTYLVAAAATGGRVKLKDTDPTILEAVLQKLEEAGAHISTGSNWIELDMKGNRPKAVNVRTAPYPAFPTDMQAQFISMNAVAEGTGAVIETVFENRFMHVYEMNRMGAQILVEGNTAIVTGVPKLKGAPVMATDLRASASLVIAGLVAEGDTLIDRIYHIDRGYECIEEKLQLLGAKIRRVPG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5BQ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -255048 for 3975 contacts (-64.2/contact) +
2D Compatibility (PS) -45052 + (NN) -14412 + (LL) 308
1D Compatibility (HY) -36800 + (ID) 10750
Total energy: -361754.0 ( -91.01 by residue)
QMean score : 0.499
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