Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASTTTCTRFTDEYQLFEELGKGAFSVVRRCMKIPTGQEYAAKIINTKKL--SARDHQKLEREARICRLLKHPNIVRLHDSISEEGFHYLVFDLVTGGELFEDIVA--------------------------------------REYYSEADASHCIQQILESVNHCHLNGIVHRDLKPENLLLASKSKGAAVKLADFGLAIEVQG----DQQAWFGFAGTPGYLSPEVLRK--DPYGKPVDMWACGVILYILLVGYPPFWDEDQHRLYQQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINPAKRITASEALKHPWICQRSTVASMMHRQETVDCLKKFNARRKLKGAILTTMLATRNFSAAKSLLKKPDGVKESTESSNTTIEDEDVKARKQEIIKVTEQLIEAINNGDFEAYTKICDPGLTAFEPEALGNLVEGMDFHRFYFENALSKSNKPIHTIILNPHVHLVGDDAACIAYIRLTQYMDGSGMPKTMQSEETRVWHRRDGKWQNVHFHRSGSPTVPIKPPCIPNGKENFSGGTSLWQNI |
3HKO Chain:A ((22-337)) | -------LELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ--KDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSIFRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNK-SFEIKLVDFGLSKEFYKLNNG--------AGTPYFVAPEVLNTTNESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -157083 for 2013 contacts (-78.0/contact) +
2D Compatibility (PS) -27793 + (NN) -16967 + (LL) 14696
1D Compatibility (HY) -22800 + (ID) 4500
Total energy: -214447.0 ( -106.53 by residue)
QMean score : 0.263
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