Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------------------------------------------------------------------MAHHHHHHLIPAEQLPPLKEEEVIEKIENDACIQKSLEKIRALSKLIYNNPEILEQDISHINANPKMGRELSERIIN----SPKSIGRLKGRKIGYIKSQKYKISEQNAKILSNEIFNYADKVSNIRCTIMREHKAKGRRLLQTVKMPS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
4C3X Chain:A ((23-530)) | DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEKTDRFGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLGDAE---------------SERQDAYVETAPAVVALLEQNPNIEFEFRAFPDYYKAEGRMDTGRSINPLDLDPADIGDLAGKVRPELDQDRTGQDHAPGP--------------------MIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVESGGETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKAIWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAAFMVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDNGSAVPSFMIFDSREGGGLPAICIPNTAPAKHLEAGTWVGADTLEELAAKTGLPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPNGGANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTSASLSGRFYPGPGVPLGTAMVFSYRAAQDMAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4C3X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 35911 for 641 contacts (56.0/contact) +
2D Compatibility (PS) -11763 + (NN) -8731 + (LL) 2796
1D Compatibility (HY) 400 + (ID) 1200
Total energy: 17413.0 ( 27.17 by residue)
QMean score : 0.022
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