Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQFDRIHLVVLDSVGIGAAPDANDFVNAGVPDGASDTLGHISKTV-GLAVPNMAKIGLGNIPRPQALKTVPAEENPSGYATKLQEVSLGKDTMTGHWEIMGLNITEPFDTFWNGFPEDIITKIEDFSGRKVIREANKPYSGTAVIDDFGPRQMETGELIIYTSADPVLQIAAHEDIIPLEELYRICEYARSITMERPALLGRIIARPYVGEPGNFTRTANRHDYAVSPFEDTVLNKLDQAGIDTYAVGKINDIFNGSGINHDMGHNKSNSHGIDTLIKTMGLSEFEKGFSFTNLVDFDALYGHRRDPHGYRDCLHEFDERLPEIISAMRDKDLLLITADHGNDPTYAGTDHTREYIPLLAYSPSFTGNGL-IPVGH-FADISATVADNFGVDTAMIGESFLQDLV |
| 4LRE Chain:A ((24-414)) | -NKYKRIFLVVMDSVGIGEAPDAEQFGDLG-----SDTIGHIAEHMNGLQMPNMVKLGLGNI---REMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKII--GNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESL-RTKSNMDGMDKLVDTLNM-DF-TGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LRE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207965 for 3619 contacts (-57.5/contact) +
2D Compatibility (PS) -41026 + (NN) -10292 + (LL) 276
1D Compatibility (HY) -43600 + (ID) 11350
Total energy: -313957.0 ( -86.75 by residue)
QMean score : 0.525
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