Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESLVFARRSGPTPSAAELARPLAEGLIKSPKPLMKKQAVKRHHHKHNLRHRYEFLETLGKGTYGKVKKARES-SGRLVAIKSIRKDKIK-DEQDLMHIRREIEIMSSLNHPHIIAIHEVFENSSKIVIVMEYASRGDLYDYISER---------------Q----------------Q--------LSEREARHFFRQIVSAVHYCHQNRVVHRDLKLENILLDANG--NIKIADFGLSNLYHQ---GKFLQTFCGSPLYASPEIVNGK--PYTGPEVDSWSLGVLLYILVHGTMPFDGHDHKILVKQISNGAYREPP-----KPSDACGLIRWLLMVNPTRRATLEDVASHWWVNWGYATRVGEQEAPHEGGHPGSDSARASMADWLRRSSRPLLENGAKVCSFFKQHAPGGGSTTPGLERQHSLKKSRKENDMAQSLHSDTADDTAHRPGKSNLKLPKGILKKKVSASAEGVQEDPPELSPIPASPGQAAPLLPKKGILKKPRQRESGYYSSPEPSESGELLDAGDVFVSGDPKEQKPPQASGLLLHRKGILKLNGKFSQTALELAAPTTFGSLDELAPPRPLARASRPSGAVSEDSILSSESFDQLDLPERLPEPPLRGCVSVDNLTGLEEPPSEGPGSCLRRWRQDPLGDSCFSLTDCQEVTATYRQALRVCSKLT |
3HKO Chain:A ((23-335)) | -----------------------------------------------ELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ--KDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSI-FRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNKSFEIKLVDFGLSKEFYKLNNG------AGTPYFVAPEVLNTTNESY-GPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQFSDKIYKMS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -151838 for 1912 contacts (-79.4/contact) +
2D Compatibility (PS) -26878 + (NN) -15496 + (LL) 15056
1D Compatibility (HY) -20400 + (ID) 4450
Total energy: -204006.0 ( -106.70 by residue)
QMean score : 0.493
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