Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ------------------MGDHAWSFLKDFLAGGVAAAVSKTAVAPIERVKLLLQVQHASKQISAEKQYKGIIDCVVRIPKEQG-------FLSFWRGNLANVIRYFPT-QALNFAFKDKYKQLF-LGGVDRHKQFWRYFAGNL--------ASGGAAGATSLCFVY--------PLDFARTRLAADVGKGAAQREFHGLGDCIIKIFKSDGLRGLYQGFNVSVQGIIIYRAAYFGVYDTAKGMLPDPKNVHI------FVSWMIAQSVTAVAGLVSYPFDTVRRRMMMQSGRKGADIMYT----GTVDCWRKIAKDEGAKAFFK------------------GAWSNVL-----------RGMGGAFVLVLY--DEIKKYV------------------ |
4KS9 Chain:A ((2-417)) | TRATKRQRDQLRQCFDARLTDVAANAAAQAWQDEYEAAVEPLRQAMLGVLAEVAAVRDATASGLSQALSNARIRFFKRFAALHGNSACGLHFLIQLRADMLRWHKRIPGLRELDEDLEALFSNWFDVGLLELQPITWDSPASLLEKLIRYWTDLRNRLDSDRRCYAFFHPRIPREPLIFVEVAFVPEMAANVQALLDLRRVKWAIFYSISNTQAGL--------RGVSFGNFLLKRVIEELQREHPKLKQFATLSPIPGFADWLRKRDGESIDRVLGVKRLARWREQHGEVPADGAAWFSALSADTEDTVIRDTAMTLAAHYLVREGGKGVPADPVARFHLGNGACVERVNWGADMSRKGRAQSCGMMVNYLYVPDALDDNLARLGDGNPRISRAVAKLL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KS9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122911 for 1906 contacts (-64.5/contact) +
2D Compatibility (PS) -30533 + (NN) -3968 + (LL) 448
1D Compatibility (HY) -8000 + (ID) 2400
Total energy: -167364.0 ( -87.81 by residue)
QMean score : 0.159
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