Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKKSLLPLGLAIGLASLAASPLIQASTYTQTKYPIVLAHGMLGFDNILGVDYWFGIPSALRRDGAQVYVTEVSQLDTSEVRGEQLLQQVEEIVALSGQPKVNLIGHSHGGPTIRYVAAVRPDLIASATSVGAPHKGSDTADFLRQI-PPGSAGEAVLSGLVNSLGALISFLSSGSTGTQNSLGSLESLNSEGAARFNAKYPQGIPTSACGEGAYKVNGVSYYSWSG------SSPLTNFLDPSDAFLGASSLTFKNGTANDGLVGTCSSHLGMVIRDNYRMNHLDEVNQVFGLTSLFETSPVSVYRQHANRLKNASL |
4GW3 Chain:A ((22-307)) | ------------------------------STKYPIVLVHGLAGFNEIVGFPYFYGIADALRQDGHQVFTASLSAFNSNEVRGKQLWQFVQTLLQETQAKKVNFIGHSQGPLACRYVAANYPDSVASVTSINGVNHGSEIADLYRRIMRKDSIPEYIVEKVLNAFGTIISTFSGH--DPQDAIAALESLTTEQVTEFNNKYPQALPKTPGGEGDEIVNGVHYYCFGSYIQGLIAGEKGNLLDPTHAAMRVLN-TFFTEKQNDGLVGRSSMRLGKLIKDDYAQDHIDMVNQVAGLVG-YNEDIVAIYTQHAKYLASKQL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -75390 for 2462 contacts (-30.6/contact) +
2D Compatibility (PS) -29971 + (NN) -9772 + (LL) 2716
1D Compatibility (HY) -24000 + (ID) 6000
Total energy: -142417.0 ( -57.85 by residue)
QMean score : 0.509
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