Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGNRNNDMNVYCSFCGKSQDEVKKIIAGNGVFICNECVALSQEIIKEELAEEVLADLAEVPKPKELLEILNQYVVGQDRAKRALAVAVYNHYKRVSYTESSDDDVDLQKSNILMIGPTGSGKTFLAQTLAKSLNVPFAIADATSLTEAGYVGEDVENILLKLIQAADYNVERAERGIIYVDEIDKIAKKGENVSITRDVSGEGVQQALLKIIEGTVASVPPQGGRKHPNQEMIQINTKNILFIVGGAFDGIEDLVKQRLGEKIIGFGQTSRKIDDNAS---YMQEIISEDIQKFGLIPEFIGRLPVVAALELLTAEDLVRILTEPRNALVKQYQTLLSYDGVELEFDQDALLAIADKAIERKTGARGLRSIIEETMLDIMFEIPSQEDVTKVRITKAAVEGTDKPVLETA |
4I81 Chain:A ((3-350)) | ------------------------------------------------------------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) -214768 for 2343 contacts (-91.7/contact) +
2D Compatibility (PS) -31431 + (NN) -15166 + (LL) 6484
1D Compatibility (HY) -36000 + (ID) 8650
Total energy: -299531.0 ( -127.84 by residue)
QMean score : 0.636
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