Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKPVVAIVGRPNVGKSTIFNRIVGERVSIVEDVPGVTRDRIYNSAEWLGKEFNIIDTGGIDLSDEPFLEQIRAQAEIAIDEADVIIFITNGREGVTDADEQVAKILYRSNKPIVLAINKVDNPEMRDQIYDFYSLGFGEPYPISGSHGLGLGDMLDAVRAHFPKEEEEEYPDDTVKFSLIGRPNVGKSSILNALLGEDRVIVSDIAGTTRDAIDTTYTFDGQDYVMIDTAGMRKRGKVYESTEKYSVLRAMRAIERSDVVLVVINAEEGIREQDKRIAGYAHDAGRAIIIVVNKWDAINKDEKTINVWTEDIREQFQFLSYAPIVFVSAKTKQRLNNLFPLINQVSDNHSLRVQSSMLNDVISDAVAMNPSPMDKGKRLKIFYTTQVAVKPPTFVVFVNDPELMHFSYERFLENRIREAFPFEGTPIRVIARKRK |
1XZP Chain:A ((239-406)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------LLNRGLRMVIVGKPNVGKSTLLNRLLNEDRAIVTDIPGTTRDVISEEIVIRGILFRIVDTAGVRSETN--DLVERLGIERTLQEIEKADIVLFVLDASSPLDEEDRKILERIK--NKRYLVVINKVDVVEKIN--EEEIK----NKLG--TDRHMVKISALKGEGLEKLEESIYRETQEI-------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XZP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -98514 for 1248 contacts (-78.9/contact) +
2D Compatibility (PS) -18813 + (NN) -9720 + (LL) 17984
1D Compatibility (HY) -14400 + (ID) 2650
Total energy: -126113.0 ( -101.05 by residue)
QMean score : 0.595
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