Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKMAVISLVLLLFLVGCGKEEAAQKPEQKTDKEPK----IVATTVAITEIMDKLDLPLVGIPSSSKK------LPKRYADVKETGSPMGPDLEIIRMLKPDMVLSTKTLEADLKS------------GFEGADLEADFLDFTSIASMQTEIKNLGAKFDRIEEATKLNKDLTSDIDQVKSNVAKKKKPTVLILMGVPGSYLVVTEHAYIGDLVKLAGGENVIKDQ---------KVEYLASNTEYLQSANPD-IILRAAHGMPAEVVKMFDEEFKT---NDIWKHFDAVKNNRVYDLDENLFGMTASLNAPEALKEMEKMLYDN |
3LHS Chain:A ((11-287)) | -------------------------KDENGTVKVPKDAKRIVVLEYSFADALAALDVKPVGIADDGKKKRIIKPVREKIGDYTSVGTRKQPNLEEISKLKPDLIIADSSRHKGINKELNKIAPTLSLKSFDG-DYKQNINSFKTIAKALNKEKE-GEK--RLAEHDKL---INKYKDEIKFDRNQKVLPAVVAKAGL----LAHPNYSYVGQFLNELGFKNALSDDVTKGLSKYLKGPYLQLDTEHLADLNPERMIIMTDHA------KKDSAEFKKLQEDATWKKLNAVKNNRVDIVDRDVWARSRGLISSE---EMAKEL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LHS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -40669 for 1893 contacts (-21.5/contact) +
2D Compatibility (PS) -25648 + (NN) -7605 + (LL) 3936
1D Compatibility (HY) -11200 + (ID) 4000
Total energy: -85186.0 ( -45.00 by residue)
QMean score : 0.435
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