Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKISKFVFLFLFCLGFNLQASGTLNIEEVITRKGFKFLFVENCDL--P--KVSLNISFKDAGYAYENVEKQGLTWFTSLAIQEGAGKNDAKDFAKKLEDKGISLNFIAGLEAFRASLNTLSENLEEAVSLLSDAIMHPKVDLEGLNRAFEKAKVNFNNLEK-DPYFIAGKELNTLLFKKHPYSKSEYGILDTIMSITRDDVLAYVKRNFTKDNIVISVVGCTTKEEVSAL---LDKYLSKLPLKRSKVRK----IPVKN-NFGPAESK-NIFMDIPQSVIFFAQKGIAYEDPDYYSASVLINALGGMGLNSILMKELRQNLGITYGVFAHIIP--NKHGNAIVGNMSTDSSTAGKAILAVKDTLSRIKREGIDEQLFKDAKTILVNNLTFF-----LSNNTNTAMLLDDMQINDRDVNRINNYADIINDVKLEKVNELASSLLDPENLFFVKVGRNT |
3CWW Chain:A ((521-918)) | ---------------------------LIKDTAMSKLWFKQDDKFFLPKANLNFEFFSP-FAYV--DPLHSNMAYLYLELLKDS---LN--EYAYAAELAGLSYDLQNTIYGMYLSVKGYNDKQPILLKKIIEKMATFEIDEARFEIIKEAYMRSLNNFRAEQPHQHAMYYLRLLMT-EVAWTK--DELKEALADVTLPRLKAFIPQLLSRLHIEALLHGNITKQAALGIMQMVEDTLIEHAHTKPLLPSQLAAYREVQLPDRGWFVYQQRNEVHNNSGIEIYYQTDMQSTSENMFLELFAQIISE-----PAFNTLRTKEQLGYIVFSGPRRANGIQGLRFIIQSEKPPHYLESRVEAFLITMEKSI-EDMTEEAFQKHIQALAIRRLDKPKKLSAESAKYWGEIIS----QQYNFDRDNTEVAYLKTLTKADIIKFYKEMLAVDAPRRHKVSVHV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CWW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129687 for 2822 contacts (-46.0/contact) +
2D Compatibility (PS) -40300 + (NN) -13397 + (LL) 3556
1D Compatibility (HY) -5600 + (ID) 2100
Total energy: -187528.0 ( -66.45 by residue)
QMean score : 0.476
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