Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTEFNDDQHSNHDQKSFKEQILAELEEANRLRKLREEELYQKEQEAKEAARRTAQLMADYEAQRLKDEQEARAKALETKQRLEEQEKARIEAKLLAEAAREEERRQAEQALASQEEQVINQGMEPSRELDSGSKSSEFRTTENVPDIDLKADKTDVATAVPNQETEEIFLVRATDIPTEGENVKLGETSELEPVAKEPIRVEDLSKEEEDIALSAKNKHNKRERRQKADNVAKRIARILISIIILVLLLTAFVGYRFVDSAIKPVDSNSNKFVQVEIPIGSGNKLIGQILEKAGVIKSATVFNYYSKFKNYSNFQSGYYNLKKSMTLDQIAAELEKGGTAEPTKPALGKILITEGYTIKQIAKAIESNKIDTKTTSTPYKADDFLKLVQDETFIKKMVA--KYPNLLGSLPDKSKAIYQLEGYLFPATYNYYKDTTLEGLVE----DMISTMNTKMAPYYNTIKAKNMSVNDVLTLSSLVEKEGSTDEDRRKIASVFYNRLSAGQALQSNIAILYAMG-KLGDKTSLAEDAQINTSIKSPYNIYTNTGLMPGPVDSPSISAIEATIKPASTDYLYFVADVKTGNVYYAKDFETHKANVEKYINSQIN |
2R1F Chain:A ((52-261)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DYLKQLREAPYIKHTLSDDKYATVAQALELENPE--WIEGWFWPDTWMYTANTTDVALLKRAHKKMVKAVDSAWEGRADGLPYKDK--NQLVTMASIIEKETAVASERDQVASVFINRLRIGMRLQTDPTVIYGMGERYNGKLSRA-DLETPTA----YNTYTITGLPPGAIATPGADSLKAAAHPAKTPYLYFVADGKGGHT-FNTNLASHNKSVQDYLKVLKE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2R1F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -64611 for 1492 contacts (-43.3/contact) +
2D Compatibility (PS) -21413 + (NN) -8932 + (LL) 30192
1D Compatibility (HY) -14400 + (ID) 3450
Total energy: -82614.0 ( -55.37 by residue)
QMean score : 0.444
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