Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQALSIVASGMVSAVGLSAPASCAAIRCALDNFQETRFIDQGGEWL-LAASVPL--------EQPWRGRAKLLKMAARAIDEALRGQPDLD----CTELPLLLCVAEGDRPG--------------------RCAGLDESFLRDLEGELGRRFHPSSALIARGRVGGAVALLNARKLI-QGGCRQVLVAGVDSFVSGPTLAAYEARERLL------------TSQNSNGFIPGEGAAAVLVAAPLH-EE---APQLLCIGLGFGVEKATVESEDLPLRADGLSQAVRAALAEAGCGLEQMDYRLTDISGEQYYFKEASLTLSRNLRVLKPKFDLWHPADCIGECGAAIGPALLAVALAASRKGYGD-------------------------GPNVFCHLGNDAGERAAALLSYRRVRAA |
1E5M Chain:A ((6-415)) | -KKRVVVTGLGAITPIGNTLQDYWQGLMEGRNGIGPITRFDASDQACRFGGEVKDFDATQFLDRKEAKRMDRFCHFAVCASQQAINDAKLVINELNADEIGVLIGTGIGGLKVLEDQQTILLDKGPSRCSPFMIPMMIANMASGLTAINLGAK--GPNNCTVTACAAGSNAIGDAFRLVQNGYAKAMICGGTEAAITPLSYAGFASARALSFRNDDPLHASRPFDKDRDGFVMGEGSGILILEELESALARGAKIYGEMVGYAMTCDAYHITAP--VPDGRGATRAIAWALKDSGLKPEMVSYINAHGTSTPANDVTETRAIKQALGNHAYNIAVSSTKSMTGHLLGGSGGIEAVATVMAIAEDKVPPTINLENPDPECDLDYVPGQSRALIVDVALSNSFGFGGHNVTLAFKKYQ---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E5M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188278 for 3386 contacts (-55.6/contact) +
2D Compatibility (PS) -35367 + (NN) -9155 + (LL) 1020
1D Compatibility (HY) -2800 + (ID) 1900
Total energy: -236480.0 ( -69.84 by residue)
QMean score : 0.434
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