Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQNAVIYQPVQIEYLKKTSDLFSEQQLADSFVLIFHLKGNGYISIGTNTNPLQKKTLYVCPPNETFGFTPAADGHIDACIIRLLSYIKETGQDIFTPCTESELAKLKLMNVSHIENLAVRLQELAALWNESSQLSQLKCVIEVQSLIYDLFTASLSDQTDTHSAIEKTKHYIETHADTKITLAQLSQMAGISAKHYSESFKKWTGQSVTEFITKTRITKAKRLMAKSNCKLKEIAHQTGYQDEFYFSRIFKKYTGCSPTSYMKKRRKKIAAYGRGTMGHLIPLHHIPFAAALHPKWTSYYYQHYSTDIPVQLSAYRFNEKWEENLYTLSQAEPDVIVSMDSISPEEQDRLNRIA------EVMYLPSEESWRTHFLQTASFLKEESEAEKWLADYDQQTTAAK-KTLQHVQGLRFLFLRLHKQNFYLAHNRS-VREVFFGDLGFSSATTADTPSEQA-ISLENIANYQADCMMLFLFKEPETIA---YYQQLQQTEAWQNLSAVRDNRVYLLSLDPWNEYSACGHERIVQQTVSLLSGDCP |
| 2WHY Chain:A ((82-274)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GEKMEPNIEKILEMKPDVILASTKF-PEK--TLQKISTAGTTIPVSHISS--NWKENMMLLAQLTGKEKKAKKIIADYEQDLKETKTKINDKAKDSKALVIRIRQGNIYIYPEQVYFNSTLYGDLGLKAPNEVKAAKAQELISLEKLSEMNPDHIFV-QFSDDENADKPDALKDLEKNPIWKSLKAVKEDHVYVNSVDP------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WHY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -82229 for 1193 contacts (-68.9/contact) +
2D Compatibility (PS) -19161 + (NN) -5058 + (LL) 25408
1D Compatibility (HY) -12800 + (ID) 2550
Total energy: -96390.0 ( -80.80 by residue)
QMean score : 0.410
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