Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNRLPTCLLAATLFLGSASLYAEDPACARVRLADPGWSDIAVTNATAAFLLESLGYQVKIDTLSVPIIYGGLRDGQVDAFLGGWMPAHQDYHDKFVASGQVERLGRNLDGTRFTLAVPRYVWDAGVHRFEDLAAQGQRFNRKLYGIGSGAPANQSIQKMIDANQFGLGDWKLVESSEQAMLAELGRAEKRQRWLVFLGWTPHPMNIRHDLRYLEGGEQYFGDR---GQVYTLARKGYAAQCPNPARLLANLRFDLDMENRLMSDALEGTATPASATRAWLKANPRVLEAWLQGVTSRDGGDALAAVRGQP |
2REJ Chain:A ((31-313)) | ------------------------ESCGTVRFSDVGWTDITATTATATTILEALGYETDVKVLSVPVTYTSLKNKDIDVFLGNWMPTMEADIAPYREDKSVETVRENLAGAKYTLATNAKGAELGIKDFKDIAAHKDELDGKIYGIEPGNDGNRLIIDMVEKGTFDLKGFEVVESSEQGMLAQVARAEKSGDPIVFLGWEPHPMNANFKLTYLSGGDDVFGPNYGGATVHTNVRAGYTTECPNVDKLLQNLSFSLQMENEIMGKILNDGEDPEKAAAAWLKDNPQSIEPWLSGVATKDGGDGLAAVKAAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2REJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -108895 for 1931 contacts (-56.4/contact) +
2D Compatibility (PS) -29374 + (NN) -8935 + (LL) 1904
1D Compatibility (HY) -24000 + (ID) 6150
Total energy: -175450.0 ( -90.86 by residue)
QMean score : 0.475
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