Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKKALLELSNGLKIELPVLSGTMGYDVLNIKDLYKVTGLLTYDPGFVSTASCSSAITFIDGDEGVLRYRGHDIADLAQSNDFTAVIYLLLYGKLPNLEQHKKFFLKIQELSKVPEQVVNVIKAFPKTAHPMSILIACFATLSALYHERYGNNVSNENLDFGISAIAQVPAIIAMVYRHTNDQEFIDTDNELNYSKSFLRMMFGNALDN-DKSTLFAKALDKIFTLHADHEQNASTAAVRVVGSAGSNLFACLSAGVATLWGPVHGGANESVINMLKEIEQSGNVDKFIEKAKDDKDPFKLMGFGHRVYKNYDPRARILKDACDEILNKLEQDSKLLKIAKELEKIALKDEYFVVRKLYPNVDFYSGIIMNAINIPPSMFTPIFALARTTGWVTQWYEMINDKETKICRPRQLYVGK |
1OWC Chain:B ((3-415)) | -DTKAKLTLNGDTAVELDVLKGTLGQDVIDIRTL-GSKGVFTFDPGFTSTASCESKITFIDGDEGILLHRGFPIDQLATDSNYLEVCYILLNGEKPTQEQYDEFKTTVTLHTMIHEQITRLFHAFRRDSHPMAVMCGITGALAAFYHDSLDVNNPRHREIAAFRLLSKMPTMAAMCYKYSIGQPFVYPRNDLSYAGNFLNMMFSTPCEPYEVNPILERAMDRILILHADHEQNASTSTVRTAGSSGANPFACIAAGIASLWGPAHGGANEAALKMLEEISSVKHIPEFFRRAKDKNDSFRLMGFGHRVYKNYDPRATVMRETCHEVLKELGTKDDLLEVAMELENIALNDPYFIEKKLYPNVDFYSGIILKAMGIPSSMFTVIFAMARTVGWIAHWSEMHSDG-MKIARPRQLYTGY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1OWC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217441 for 3285 contacts (-66.2/contact) +
2D Compatibility (PS) -43170 + (NN) -16713 + (LL) 404
1D Compatibility (HY) -39600 + (ID) 9800
Total energy: -326320.0 ( -99.34 by residue)
QMean score : 0.506
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