Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHNGHDKLNGVLRGFLGDSFTLDGKEGGLNMSKMLEFIKKEKPKMNVLLMGATGVGKSSLINALFGKEITKTGVGKPITQHLEKYIDEEKGLILWDTKGIEDKDYHDTMQSIKKEMEDSFKTLDEKEAIDVAYLCVKETSSRVQERERELLSFAKHWNIPTIVVFTHTQAEAGDAFVQETKGIIDEEWGFKGFVRAYVRVNSVAFSFRGLKVPVEGLEELVDETKKCLSDAEKNKKRHFLSIQRVKIQERKQAMIEECKTIIHVASGAAGVAGLIPIPFSDALAIAPIQAGMIYKMNDAFGMDLDKSVGASLVAGLLGVTAVAQVGRTLVNGFLKFIPVVGSVAGGATAAVITEGIGFAYLKVLEKCFNDETGEVNLPGEVGMITSLFKENYLNLDTIKKLKP |
3PQC Chain:A ((18-148)) | ---------------------------------------YPPPLKGEVAFVGRSNVGKSSLLNALFNRKIAFVSKTPGKTRSINFYL-VNSKYYFVDLPGYGYAKVSKKERMLWKRLVEDY--FKNRWSLQMVFLLVDGRIP-PQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFSKYGEYTIIPTSSVTGEGISELLDLISTLLK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PQC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -22799 for 908 contacts (-25.1/contact) +
2D Compatibility (PS) -14287 + (NN) -4470 + (LL) 15608
1D Compatibility (HY) -11600 + (ID) 1400
Total energy: -38948.0 ( -42.89 by residue)
QMean score : 0.535
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