Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDNNNDDLHYCSFCNKAQNEVDKLITNSSDGLKVFICNECIELSHKAISQKKGGSFNSDYMSDVKLLLKKPEDIKIFLSKHVVGQEHAQHVLSVAMYNHCQSMAQFNAISDVEIEKSNVMLIGPTGSGKTLLAKTLAKVSDVPFAMADATTLTEAGYVGDDVESVLSRLLQAANYDVAKAQRGIVFIDEIDKITRKSESTSITRDVSGEGVQQALLKIMEGTVAYVPPQGGRKHPQQEFIQVDTNNILFICGGAFEGLNKIIEARKKGT-SVGFGADISQSKE-QKKKNTLHDVQPEDLIKFGLIPEFVGRVPITAVLDELDHEDLVHVLIEPRNALIKQYKALLAFSKVNLEFSDEAISAIAEKAMSYKTGARMLRAILESLLLDVMYTAGNGGFEGSTIVITKEMVELGKAVINHNNKGNVITVND |
3HWS Chain:A ((4-345)) | --------------------------------------------------------------------PTPHEIRNHLDDYVIGQEQAKKVLAVAVYNHYKRLRNGDTSNGVELGKSNILLIGPTGSGKTLLAETLARLLDVPFTMADATTLTEAGYVGEDVENIIQKLLQKCDYDVQKAQRGIVYIDQIDKISRKSDNP---RDVSGEGVQQALLKLIEGT----------------FLQVDTSKILFICGGAFAGLDKVISHRVETGS------------DKASEGELLAQVEPEDLIKFGLIPEFIGRLPVVATLNELSEEALIQILKEPKNALTKQYQALFNLEGVDLEFRDEALDAIAKKAMARKTGARGLRSIVEAALLDTMYDLPSMEDVEK-VVIDESVIDGQSEPLLIY---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HWS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -210253 for 2471 contacts (-85.1/contact) +
2D Compatibility (PS) -33244 + (NN) -14684 + (LL) 4820
1D Compatibility (HY) -34000 + (ID) 8950
Total energy: -296311.0 ( -119.92 by residue)
QMean score : 0.487
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