Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQFDRIHLVVLDSVGIGAAPDANDFVNAGVPDGASDTLGHISKTV-GLAVPNMAKIGLGNIPRPQALKTVPAEENPSGYATKLQEVSLGKDTMTGHWEIMGLNITEPFDTFWNGFPEDIITKIEDFSGRKVIREANKPYSGTAVIDDFGPRQMETGELIIYTSADPVLQIAAHEDIIPLEELYRICEYARSITMERPALLGRIIARPYVGEPGNFTRTANRHDYAVSPFEDTVLNKLDQAGIDTYAVGKINDIFNGSGINHDMGHNKSNSHGIDTLIKTMGLSEFEKGFSFTNLVDFDALYGHRRDPHGYRDCLHEFDERLPEIISAMRDKDLLLITADHGNDPTYAGTDHTREYIPLLAYSPSFTGNGL-IPVGH-FADISATVADNFGVDTAMIGESFLQDLV |
3UN2 Chain:C ((8-397)) | --KYKRIFLVVMDSVGIGEAPDAEQFGDLG-----SDTIGHIAEHMNGLQMPNMVKLGLGNI---REMKGISKVEKPLGYYTKMQEKSTGKDQMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKII--GNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESL-RTKSNMDGMDKLVDTLNM-DF-TGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UN2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211881 for 3587 contacts (-59.1/contact) +
2D Compatibility (PS) -40642 + (NN) -7216 + (LL) 248
1D Compatibility (HY) -43600 + (ID) 11300
Total energy: -314391.0 ( -87.65 by residue)
QMean score : 0.536
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