Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDERIISSETVDAEEVSFETSLRPQNLSQYIGQDKVKNNLTVFIEAATLRNEALDHVLLYGPPGLGKTTLAMVIASEMGSQIKTTSGPAIERPGDLATILT-SLEPGDVLFIDEIHRLSRAIEEILYPAMEDYCLDIVIGTGPTARSVRLDLPPFTLIGATTRAGLLSAPLRDRFGVIDHLEFYTEEQLTEIVLRTSNILDTKIDDLGAREIARRSRGTPRIANRLLKRVRDFAQVRGNGTVTEKLAKEALTLLQVDPRGLDTIDQKLLHTIIQSFRGGPVGLDTIAASIGEERETIEDMQEPYLLQIGFLQRTPRGRIVTETAYNHLGISYEKEV |
1HQC Chain:A ((5-318)) | --------------------ALRPKTLDEYIGQERLKQKLRVYLEAAKARKEPLEHLLLFGPPGLGKTTLAHVIAHELGVNLRVTSGPAIEKPGDLAAILANSLEEGDILFIDEIHRLSRQAEEHLYPAMEDFVMDIVIGQGPAARTIRLELPRFTLIGATTRPGLITAPLLSRFGIVEHLEYYTPEELAQGVMRDARLLGVRITEEAALEIGRRSRGTMRVAKRLFRRVRDFAQVAGEEVITRERALEALAALGLDELGLEKRDREILEVLILRFGGGPVGLATLATALSEDPGTLEEVHEPYLIRQGLLKRTPRGRVPTELAYRHLGYPPPV-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HQC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162780 for 2527 contacts (-64.4/contact) +
2D Compatibility (PS) -33942 + (NN) -18198 + (LL) 2060
1D Compatibility (HY) -32400 + (ID) 9050
Total energy: -254310.0 ( -100.64 by residue)
QMean score : 0.479
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