Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDHSMSKKLHDEALLHIVGGVNSPSRSNKGVGGGIPVTMERASGAYFYDVDGNKYIDYLAAFGPIITGHAHPHITEAITKAAQNGVLYGTPTKHEITFAKMLKEAIPSLEKVRFTNSGTEAVMTTIRVARAYTGRDKIIKFAGCYHGHFDLVLVEAGSGPSTLGIPDSAGVTKSTAEEVITVPFNDLDSFKEALAIWGDQVAAVLVEPIVGNFGMVAPEDGFLEAVNELAHVNGSLVIYDEVITAFRFMYGGAQNYLGVIPDLTAMGKIIGGGLPIGAYGGRIDIMEKVAPL--GPAYQAGTHAGNPASILSGIACLEVLQEEGLYERFEKYGSMLKDGIEKAAAKHNIAVTVNQIVGALTVYFTEDPVTNYAEAGATNGELFGRFFKGMLEEGINLAPSKYEAWFITSAHSEADILETIQAVDTVFGKMVQDN |
2YKU Chain:A ((82-447)) | ----------------------------------FPLVIAQGTGSRFQDVDGHAYVNFLGEYTAGLFGHSHPVIRAAVERALAVGLNLSTQTENEALFAEAVCDRFPSIDLVRFTNSGTEANLMALATATAITGRKTVLAFDGGYHG--GLLNFASGHAPT------------NAPYHVVLGVYNDVEGTADLLKRHGHDCAAILVEPMLGAGGCVPAERAFLDLLRAEASRCGALLIFDEVMTS-RLSGGGAQEMLGISADLTTLGKYIGGGMSFGAFGGRRDLMERFDPARDGAFAHAGTFNNNILTMSAGHAALTQIYTRQAASDLSASGDRFRANLNRIAVENQAPLQFTGLGSLGTIHFSRAPIRSAGDVRAADQQLKELFFFHMLRKGIYLAPRGMYALSLEIADAGRD------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YKU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209010 for 3184 contacts (-65.6/contact) +
2D Compatibility (PS) -39519 + (NN) -13266 + (LL) 3128
1D Compatibility (HY) -20400 + (ID) 6200
Total energy: -285267.0 ( -89.59 by residue)
QMean score : 0.515
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