Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRRVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVEDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDIPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGIGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLRLRVLSWGAAPAPDALLRQMSAT-FPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVIPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDSDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVTNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSASAGFTERRENRQKL |
5BUS Chain:A ((5-480)) | ----------------------TEQPNWLMQ---RAQLTPERIALIYEDQTVTFAELFAASKRMAEQLAAHSVRKGDTAAILLQNRAEMVYAVHACFLLGVKAVLLNTKLSTHERLFQLEDSGSGFLLTDSSFEK-----KEYEHIVQTIDVD-----------ELMKEAAEEIEIEAYMQMDATATLMYTSGTTGKPKGVQQTFGNHYFSAVSSALNLGIT-EQDRWLIALPLFHISGLSALFKSVIYGMTVVLHQ--RFSVSDVLHSINRHEVTMISAVQTMLASLLEETNRCPESIRCILL--GGGPAPLPLLEECREKGFP---VFQSYGMTETCSQIVTLSPEFSMEKLGSAGKPLFSCEIKIERDGQVCEPY-EHGEIMVKGPNVMKSYFNRESANEASFQNGWLKTGDLGYLDNEGFLYVLDRRSDLIISGGENIYPAEVESVLLSHPAVAEAGVSGAEDKK--KVPHAY-LVLHKPVSAGELTDYCKERLAKYKIPAKFFVLDRLPRNASNKLLRNQLK---------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5BUS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -337718 for 4045 contacts (-83.5/contact) +
2D Compatibility (PS) -51173 + (NN) -24345 + (LL) 5772
1D Compatibility (HY) -32800 + (ID) 7800
Total energy: -448064.0 ( -110.77 by residue)
QMean score : 0.550
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