Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLHFLYYCSEPTLDVKIAFCQGFDKHVDVSSVVKHYNMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQM-ELDHERMSYLLYQMLSAIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILG-MGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQ-PTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAAVNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR |
2FST Chain:X ((12-355)) | --------------------------------------------RPTFYRQELNKTIWEVPERYQNLSPVG----GSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLN-----QKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILD-----------------ATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGA------------NPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEP--VADPYDQSLESRDLLIDEWKSLTYDEVISF--------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FST.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -218292 for 2411 contacts (-90.5/contact) +
2D Compatibility (PS) -34161 + (NN) -20432 + (LL) 7180
1D Compatibility (HY) -34000 + (ID) 7800
Total energy: -307505.0 ( -127.54 by residue)
QMean score : 0.320
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