Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKPVVAIVGRPNVGKSTIFNRIVGERVSIVEDVPGVTRDRIYNSAEWLGKEFNIIDTGGIDLSDEPFLEQIRAQAEIAIDEADVIIFITNGREGVTDADEQVAKILYRSNKPIVLAINKVDNPEMRDQIYDFYSLGFGEPYPISGSHGLGLGDMLDAVRAHFPKEEEEEYPDDTVKFSLIGRPNVGKSSILNALLGEDRVIVSDIAGTTRDAIDTTYTFDGQDYVMIDTAGMRKRGKVYESTEKYSVLRAMRAIERSDVVLVVINAEEGIREQDKRIAGYAHDAGRAIIIVVNKWDAINKDEKTINVWTEDIREQFQFLSYAPIVFVSAKTKQRLNNLFPLINQVSDNHSLRVQSSMLNDVISDAVAMNPSPMDKGKRLKIFYTTQVAVKPPTFVVFVNDPELMHFSYERFLENRIREAFPFEGTPIRVIARKRK |
4DCS Chain:A ((23-455)) | --KPVVAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG------PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKL----MRANIYDFYSLGFGEPYPISGTHGLGLGDLLDAVAEHFKNIPETKYNEEVIQFCLIGRPNVGKSSLVNAMLGEERVIVSN------DAVDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDKDESTMKEFEENIRDHFQFLDYAPILFMSALTKKRIHTLMPAIIKASENHSLRVQTNVLNDVIMDAVAMNPTPTHNGSRLKIYYATQVSVKPPSFVVFVNDPELMHFSYERFLENRIRDAFGFEGTPIKIFARAR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DCS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -274182 for 3203 contacts (-85.6/contact) +
2D Compatibility (PS) -44443 + (NN) -13533 + (LL) 1480
1D Compatibility (HY) -53600 + (ID) 14700
Total energy: -398978.0 ( -124.56 by residue)
QMean score : 0.633
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