Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKPVVAIVGRPNVGKSTIFNRIVGERVSIVEDVPGVTRDRIYNSAEWLGKEFNIIDTGGIDLSDEPFLEQIRAQAEIAIDEADVIIFITNGREGVTDADEQVAKILYRSNKPIVLAINKVDNPEMRDQIYDFYSLGFGEPYPISGSHGLGLGDMLDAVRAHFPKEEEEEYPDDTVKFSLIGRPNVGKSSILNALLGEDRVIVSDIAGTTRDAIDTTYTFDGQDYVMIDTAGMRKRGKVYESTEKYSVLRAMRAIERSDVVLVVINAEEGIREQDKRIAGYAHDAGRAIIIVVNKWDAINKDEKTINVWTEDIREQFQFLSYAPIVFVSAKTKQRLNNLFPLINQVSDNHSLRVQSSMLNDVIS--DAVAMNPSPMDKGKRLKIFYTTQVAVKPPTFVVFVNDPELMHFSYERFLENRIREAFPFEGTPIRVIARKRK |
3GEH Chain:A ((225-409)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD-----------------------QAANTADLVLLTIDAATGWTTGDQEI--YEQVKHRPLILVMNKIDLVEKQLITSLEYPENITQ---------IVHTAAAQKQGIDSLETAILEIVQTG--KVQAADMDLAINQRQAAALTQAKM-------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88649 for 1107 contacts (-80.1/contact) +
2D Compatibility (PS) -17815 + (NN) -6458 + (LL) 17916
1D Compatibility (HY) -12400 + (ID) 2900
Total energy: -110306.0 ( -99.64 by residue)
QMean score : 0.476
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