Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MINEQRLLNTFLELVQIDSETGNESTIQPILKEKFIALGLDVKEDEAAKHPKLGANNLVCTMNSTIEEGEVPKLYLTSHMDTVVPAINVKPIVKDDGYIYSDGTTILGADDKAGLAAMLEVLQVIKEQQIPHGQIQFVITVGEESGLIGAKELNSELLDADFGYAIDASADVGTTVVGAPTQMLISAKIIGKTAHASTPKEGVSAINIAAKAISRMKLGQVDEITTANIGKFHGGSATNIVADEVILEAEARSHDPERIKTQVKHMTDVFETTASELGGKAEVTVEQSYPGFKINDNEAVVKIAQESARNLGLSANTIISGGGSDGSIINTFGIPSVILGVGYEKIHTTNERMPIKSLNLLASQVLEIIKIVARQSK |
3RZA Chain:B ((21-394)) | -INEQRLLNTFLELVQIDSETGNESTIQPILKEKFIALGLDVKEDEAAKHPKLGANNLVCTMNSTIE---VPKLYLTSHMDTVVPAINVKPIVKDDGYIYSDGTTILGADDKAGLAAMLEVLQVIKEQQIPHGQIQFVITVGEESGLIGAKELNSELLDADFGYAIDASADVGTTVVGAPTQMLISAKIIGKTAHASTPKEGVSAINIAAKAISRMKLGQVDEITTANIGKFHGGSATNIVADEVILEAEARSHDPERIKTQVKHMTDVFETTASELGGKAEVTVEQSYPGFKINDNEAVVKIAQESARNLGLSANTIISGGGSDGSIINTFGIPSVILGVGYEKIHTTNERMPIKSLNLLASQVLEIIKIVARQ-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RZA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177714 for 3341 contacts (-53.2/contact) +
2D Compatibility (PS) -39670 + (NN) -12936 + (LL) 280
1D Compatibility (HY) -48400 + (ID) 18550
Total energy: -296990.0 ( -88.89 by residue)
QMean score : 0.645
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