Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQ-MLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQN---VKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRY---SDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR |
3HZT Chain:A ((6-268)) | -------YQRVKKLGSGAYGEVLLCKDKLTGAERAIKIIKKSSVTTTSNSGALLDEVAVLKQLDHPNIMKLYEFFEDKRN--YYLVMEVYRGGELFDEIIL----RQKFSEVDAAVIMKQVLSGTTYLHK-----HNIVHRDLKPENLLLESKSRDALIKIVDFGLSAHFEVG---------TAYYIAPEVL-RKKYDEKCDVWSCGVILYILLCGYPPFGGQTDQEILKRVEKGKFSFDPPDWTQVSDEAKQLVKLMLTYEPSKRISAEEALNHPWIVKFCS------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HZT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147965 for 1920 contacts (-77.1/contact) +
2D Compatibility (PS) -26527 + (NN) -15626 + (LL) 13840
1D Compatibility (HY) -20000 + (ID) 4350
Total energy: -200628.0 ( -104.49 by residue)
QMean score : 0.432
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