Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTMIKNGDSIAVVNGDIELSYKDIDRQSNSFANGLLKAGFKCGDKIVLQLPNYHEFIIIAFAMFKVGIIPIMSLPAHRKNELKGIIEKSEAVAYIAKDKYLGFSYVDMIRDIKIESDREFKVYILGEGDEFKKFSELNDNNYIYQKTEVDYKNIGLLLLSGGTTRIPKLIPRRHCDYLYVAKKTSIISGMDRGSIYLAALPMAHNFPLCCPGILGTFAVGGKVVVCEVTSPDEILPLIEEEKVTITGFVPAIANICMDYL--QYEDYDLSSLKIL |
3RG2 Chain:I ((32-307)) | ILTRHAASDSIAVIDGERQLSYRELNQAADNLACSLRRQGIKPGETALVQLGNVAELYITFFALLKLGVAPVLALFSHQRSELNAYASQIEPALLIADRQHALFSGDDFLNTFVTEHSSIRVVQLLNDSGEHNLQDAINHPAEDFT--PSPADEVAYFQLSGG-TGTPKLIPRTHNDYYYSVRRSVEICQFTQQTRYLCAIPAAHNYAMSSPGSLGVFLAGGTVVLAADPSATLCFPLIEKHQVNVTALVPPAVSLWLQALIEGESRAQLASLKLL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196261 for 2242 contacts (-87.5/contact) +
2D Compatibility (PS) -29078 + (NN) -3796 + (LL) 168
1D Compatibility (HY) -14400 + (ID) 4400
Total energy: -247767.0 ( -110.51 by residue)
QMean score : 0.480
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