Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | SVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRKFAIGSAREADPALNVETEIEILKKLNHPCIIKIKNFFDAED-YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGE-TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLAQPSTSRKRPREGEAEGAE |
3SOA Chain:A ((8-273)) | -----RFTEEYQLFEELGKG--SVVRRCVKVLAGQEYAAMIINTKKLSA------RDHQKLEREARICRLLKHPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRNLKPENLLLASKLKGAAVKLADFGLAIEVEGEQQAWFGFAGTPGYLSPEVLRK---DPYGKPVDLWACGVILYILLVGYPPFWDED-QHRLYQQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINPSKRITAAEALKHPWISH------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SOA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164218 for 2015 contacts (-81.5/contact) +
2D Compatibility (PS) -28346 + (NN) -15616 + (LL) 3388
1D Compatibility (HY) -21600 + (ID) 4750
Total energy: -231142.0 ( -114.71 by residue)
QMean score : 0.395
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