Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKPKHYPDTISSPDFSSLEKEIIKFWQENKIFEQSVEKRSKDNCFVFYDGPPFANGLPHYGHLLTGFIKDAFARYQTMLQKKVERRFGWDCHGLPAEMGAEKELGISGRTEIEKFGIEKFNNYCRTSVMKFSSEWEKYVNRQARWVDFHNDYKTMDRSFMESVIWAFKQLYDKGLVYESVRVVPYSWACETPLSNFETRLDTAYRKKTSKAVTVAFELLENPQQFKQKCKLLAWTTTPWTLPSNLALAIGKDIEYCAVSVHSSVSFQHVTLESREKETWIPLSRTGMTEEGTETVTEDNEVSLVNNEIYIFAEDYLEKFIGHCEQNNIPYENCNTKLKADDLAGLSYKPLFNYFKGTKNAFRVFIADYVTGEDGTGVVHTAPGFGEEDFYLCQSHDIPAICPIDNSGRFTAEVSDLTGIHVFDTNDAIIKKLKEQGNWFKTEQYIHNYPHCWRTDTPLIYRAMPSWYVAVTKFKERMIELNKRVNWIPTHIRDGQFGKWLERAHDWSISRNRFWGTPIPIWKSDNARYPRVDVYGSIAELERDFNVKVN---DLHRPFIDSLTRPNPDDPTGKSIMRRVPDVFDCWFESGSVPFAQVHYPFENKEWFESNFPADFITEYIAQTRGWFYTLFVLSTALFDSEPFKNCICHGVVLDVKGQKLSKRLNNYADPMEVFDKYGSDALRFLMLSGSIVCGGNLFLNKEGSSIRDVLKNVMKPIWNSYHFFTMYANAD--GIKAEVCKDYKSTIDSYMIFKCFEAVESIQASMSNYNSQEACKILIDF-FEVLNNWYIRRSRERFWKSNLDQDKTDAYNVLYTVFYYILRAAVPLLPLITETIWQG------LKYKEISVHLADFPQLER--YDSELIAKMDLVREICNSALSIRNTFNIRVRQPLGSMTVYHQSSCSFLESKPLSVVIPKFSPVIPMRDTGTQKEKKWSNAEMKTSMNEYQEMIKDEVNVKELKLVNSLEGIASLELKLNFPMLGKRIPDKVKKLVQYVKEGKWKQVDNEQVFLGNESESYIIEKDEYELLLKTNSEYSSVFGDNKGIVILNTALDDALVLEGLARDVVRLIQEARKQADFHISDRIRVIIKTEDEKIKRAINTWGEYIREQTLSLSLEINIEIGDNFYSKEYQDLIVGIELNC |
1ILE Chain:A ((5-816)) | ---------VGEPNFPKLEEEVLAFWKREKIFQKSVENRKGGPRYTVYEGPPTANGLPHVGHAQARSYKDLFPRYKTMRGYYAPRRAGWDTHGLPVELEVEKKLGLKSKREIEAYGIERFNQACRESVFTYEKEWEAFTERIAYWVDLEDAYATLEPTYIESIWWSLKNLFDRGLLYRDHKVVPYCPRCGTPLSSHEVAL--GYKEIQDPSVYVRFPLKEPKKLGLEKASLLIWTTTPWTLPGNVAAAVHPEYTYAA--------FQ------------------------------------VGDEALILEEGLGRKLLGEGTQ-------VLKTFPGKALEGLPYTP--PYPQALEKGYFVVLADYVSQEDGTGIVHQAPAFGAEDLETARVYGLPLLKTVDEEGKLLVE--PFKGLYFREANRAILRDLRGRGLLFKEESYLHSYPHCWRCSTPLMYYATESWFIKNTLFKDELIRNNQEIHWVPPHIKEGRYGEWLKNLVDWALSRNRYWGTPLPIWVCQACG--KEEAIGSFQELKARATKPLPEPFDPHRPYVDQVELAC----ACGGTMRRVPYVIDVWYDSGAMPFASLHYPFEHEEVFRESFPADFIAEGIDQTRGWFNSLHQLGVMLFGSIAFKNVICHGLILDEKGQKMSKSKGNVVDPWDIIRKFGADALRWYIYVSAPPEADRRF---GPNLVRETVRDYFLTLWNVYSFFVTYANLDRPDLKNPPPPEKRPEMDRWLLARMQDLIQRVTEALEAYDPTTSARALRDFVVEDLSQWYVRRNRRRFWKNEDALDREAAYATLYEALVLVATLAAPFTPFLAEVLWQNLVRSVRLEAKE-SVHLADWPEADPALADEALVAQMRAVLKVVDLARAARAKSGV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ILE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -435370 for 6793 contacts (-64.1/contact) +
2D Compatibility (PS) -85012 + (NN) -25261 + (LL) 22480
1D Compatibility (HY) -65600 + (ID) 16350
Total energy: -605113.0 ( -89.08 by residue)
QMean score : 0.428
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