Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDNNNDDLHYCSFCNKAQNEVDKLITNSSDGLKVFICNECIELSHKAISQKKGGSFNSDYMSDVKLLLKKPEDIKIFLSKHVVGQEHAQHVLSVAMYNHCQSMAQFNAISDVEIEKSNVMLIGPTGSGKTLLAKTLAKVSDVPFAMADATTLTEAGYVGDDVESVLSRLLQAANYDVAKAQRGIVFIDEIDKITRKSESTSITRDVSGEGVQQALLKIMEGTVAYVPPQGGRKHPQQEFIQVDTNNILFICGGAFEGLNKIIEAR-KKGTSVGFGADISQSKEQKKKNTLHDVQPEDLIKFGLIPEFVGRVPITAVLDELDHEDLVHVLIEPRNALIKQYKALLAFSKVNLEFSDEAISAIAEKAMSYKTGARMLRAILESLLLDVMYTAGNGGFEGSTIVITKEMVELGKAVINHNNKGNVITVND |
4I81 Chain:A ((3-324)) | -------------------------------------------------------------------LPTPHEIRNHLDDYVIGQEQAKKVLAVAVYNHYKRLRNGDT-----LGKSNILLIGPTGSGKTLLAETLARLLDVPFTMADATTL-----VGEDVENIIQKLLQKCDYDVQKAQRGIVYIDQIDKISRKS----------GEGVQQALLKLIEGT-----------------LQVDTSKILFICGGAFAGLDKVISHRVE------------------EGELLAQVEPEDLIKFGLIPEFIGRLPVVATLNELSEEALIQILKEPKNALTKQYQALFNLEGVDLEFRDEALDAIAKKAMARKTGARGLRSIVEAALLDTMYDLPSMEDVEKVVIDESVIDGQSEPLLIY----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4I81.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216562 for 2122 contacts (-102.1/contact) +
2D Compatibility (PS) -28626 + (NN) -13317 + (LL) 5276
1D Compatibility (HY) -32000 + (ID) 8300
Total energy: -293529.0 ( -138.33 by residue)
QMean score : 0.545
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