Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATTATCTRFTDDYQLFEELGKGAFSVVRRCVKKTSTQEYAAKIINTKKL--SARDHQKLEREARICRLLKHPNIVRLHDSISEEGFHYLVFDLVTGGELFEDIVA--------------------------------------REYYSEADASHCIHQILESVNHIHQHDIVHRDLKPENLLLASKCKGAAVKLADFGLAIEVQ----GEQQAWFGFAGTPGYLSPEVLRK--DPYGKPVDIWACGVILYILLVGYPPFWDEDQHKLYQQIKAGAYDFPSPEWDTVTPEAKNLINQMLTINPAKRITADQALKHPWVCQRSTVASMMHRQETVECLRKFNARRKLKGAILTTMLVSRNFSAAKSLLNKKSDGGVKKRKSSSSVHLMPQSNNKNSLVSPAQEPAPLQTAMEPQTTVVHNATDGIKGSTESCNTTTEDEDLKARSPEGRSSRDRTAPSAGMQPQPSLCSSAMRKQEIIKITEQLIEAINNGDFEAYTKICDPGLTSFEPEALGNLVEGMDFHKFYFENLLSKNSKPIHTTILNPHVHVIGEDAACIAYIRLTQYIDGQGRPRTSQSEETRVWHRRDGKWLNVHYHCSGAPAAPLQ |
3HKO Chain:A ((22-337)) | -------LELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ--KDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSIFRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNK-SFEIKLVDFGLSKEFYKLNNG--------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) -158751 for 2004 contacts (-79.2/contact) +
2D Compatibility (PS) -27641 + (NN) -15915 + (LL) 17432
1D Compatibility (HY) -23200 + (ID) 4350
Total energy: -212425.0 ( -106.00 by residue)
QMean score : 0.469
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