Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDNNNDDLHYCSFCNKAQNEVDKLITNSSDGLKVFICNECIELSHKAISQKKGGSFNSDYMSDVKLLLKKPEDIKIFLSKHVVGQEHAQHVLSVAMYNHCQSMAQFNAISDVEIEKSNVMLIGPTGSGKTLLAKTLAKVSDVPFAMADATTLTEAGYVGDDVESVLSRLLQAANYDVAKAQRGIVFIDEIDKITRKSESTSITRDVSGEGVQQALLKIMEGTVAYVPPQGGRKHPQQEFIQVDTNNILFICGGAFEGLNKIIEAR-KKGTSVGFGADISQSKEQKKKNTLHDVQPEDLIKFGLIPEFVGRVPITAVLDELDHEDLVHVLIEPRNALIKQYKALLAFSKVNLEFSDEAISAIAEKAMSYKTGARMLRAILESLLLDVMYTAGNGGFEGSTIVITKEMVELGKAVINHNNKGNVITVND |
4I81 Chain:B ((3-324)) | -------------------------------------------------------------------LPTPHEIRNHLDDYVIGQEQAKKVLAVAVYNHYKRLRNGDTSNGVELGKSNILLIGPTGSGKTLLAETLARLLDVPFTMADATTL-----VGEDVENIIQKLLQKCDYDVQKAQRGIVYIDQIDKISRK-------------GVQQALLKLIEGT-----------------LQVDTSKILFICGGAFAGLDKVISHRVET---------------ASEGELLAQVEPEDLIKFGLIPEFIGRLPVVATLNELSEEALIQILKEPKNALTKQYQALFNLEGVDLEFRDEALDAIAKKAMARKTGARGLRSIVEAALLDTMYDLPSMEDVEKVVIDESVIDGQSEPLLIY----------- |
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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) -218805 for 2136 contacts (-102.4/contact) +
2D Compatibility (PS) -29209 + (NN) -14305 + (LL) 4536
1D Compatibility (HY) -32000 + (ID) 8250
Total energy: -298033.0 ( -139.53 by residue)
QMean score : 0.549
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