Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHNGHDKLNGVLRGFLGDSFTLDGKEGGLNMSKMLEFIKKEKPKMNVLLMGATGVGKSSLINALFGKEITKTGVGKPITQHLEK--YIDEEKGLILWDTKGIEDKDYHDTMQSIKKEMEDSFKTLDEKEAIDVAYLCVKETSSRVQERERELLSFAKHWNIPTIVVFTHTQAEAGDAFVQETKGIIDEEWGFKGFVRAYVRVNSVAFSFRGLKVPVEGLEELVDETKKCLSDAEKNKKRHFLSIQRVKIQERKQAMIEECKTIIHVASGAAGVAGLIPIPFSDALAIAPIQAGMIYKMNDAFGMDLDKSVGASLVAGLLGVTAVAQVGRTLVNGFLKFIPVVGSVAGGATAAVITEGIGFAYLKVLEKCFNDETGEVNLPGEVGMITSLFKENYLNLDTIKKLKP |
1EGA Chain:A ((4-176)) | ----------------------------------------DKSYCGFIAIVGRPNVGKSTLLNKLLGQKISITSRKAQTTRHRIVGIHTEGAYQAIYVDTPGLHMEEKR----AINRLMNKAA--SSSIGDVELVIFVVEGTR--WTPDDEMVLNKLREGKAPVILAVNKVDNVQEKADLLPHLQFLASQ---MN-FLDIVPISAE----T-----GLNVDTIAAIVRKHLPEATHHFPEDYITDRSQRFMASEIIREKLMRFLGAELPYSVTVEIERFVSNERGGYDINGLILVEREGQKKMVIGNKGAKIKTIGIEARKDMQEMFEAPVHLELWVKVKSGWADDERALRSL----------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1EGA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -45536 for 1270 contacts (-35.9/contact) +
2D Compatibility (PS) -18313 + (NN) -1657 + (LL) 7424
1D Compatibility (HY) -6800 + (ID) 1450
Total energy: -66332.0 ( -52.23 by residue)
QMean score : 0.507
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