Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLLLKKHTEDISSVYEIRERLGSGAFSEVVLAQERGSAHLVALKCIPKKALRG-KEALVENEIAVLRRISHPNIVALEDVHESPSHLYLAMELVTGGELFDRIME---------------RG----------------SY--------TEKDASHLVGQVLGAVSYLHSLGIVHRDLKPENLLYATPFEDSKIMVSDFGLSKIQ----AGNMLGTACGTPGYVAPELLEQ--KPYGKAVDVWALGVISYILLCGYPPFYDESDPELFSQILRASYEFDSPFWDDISESAKDFIRHLLERDPQKRFTCQQALRHLWISGDTAFDRDILGSVSEQIRKNFARTHWKRAFNATSFLRHIRKLGQIPEGEGASEQGMARHSHSGLRAGQPPKW |
| 3HKO Chain:A ((21-336)) | -------LLELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQKDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSI-FRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFST-NKSFEIKLVDFGLSKEFYKLNNG------AGTPYFVAPEVLNTTNESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQFSDKIYKMS-------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168194 for 2009 contacts (-83.7/contact) +
2D Compatibility (PS) -27374 + (NN) -16812 + (LL) 4632
1D Compatibility (HY) -22400 + (ID) 4600
Total energy: -234748.0 ( -116.85 by residue)
QMean score : 0.555
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