Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRSETLFNNAQKHIPGGVNSPVRAFKSVGGTPLFFKHAEGAYVLDEDDKRYVDYVGSWGPMILGHSHPDVLDAVRRQLDHGLSYGAPTALEVEMADLVCSMVPSMEMVRMVSSGTEATMSAIRLARGYTGRDSIIKFEGCYHGHSDSLLVKAGSGALTFGVPNSPGVPAAFAKHTLTLPFNDIEAVRKTLGEVGKEVACIIVEPVAGNMNCVPPAPGFLEGLREACDEHGVVLIFDEVMTGFRVALGGAQAYYGVTPDLSTFGKIIGGGMPVGAFGGKREIMQQISPL--GPVYQAGTLSGNPLAMAAGLTTLRLISRPGFHDELTAYTTRMLDGLQQRADAAGIPFVTTQAGGMFGLYFSGADAIVTFEDVMASDVERFKRFFHLMLDGGVYLAPSAFEAGFTSIAHGDKELEITLNAAEKAFAALK |
2YKX Chain:C ((64-447)) | ----------ARRSMPGGNTRSILFHRPF---PLVIAQGTGSRFQDVDGHAYVNFLGEYTAGLFGHSHPVIRAAVERALAVGLNLSTQTENEALFAEAVCDRFPSIDLVRFTNSGTEANLMALATATAITGRKTVLAFDGGYHG-----------GLLNFA---SGHAPTNAPYHVVLGVYNDVEGTADLLKRHGHDCAAILVEPMLGAGGCVPAERAFLDLLRAEASRCGALLIFDEVMTS-RLSGGGAQEMLGISADLTTLGKYIGGGMSFGAFGGRRDLMERFDPARDGAFAHAGTFNNNILTMSAGHAALTQIYTRQAASDLSASGDRFRANLNRIAVENQAPLQFTGLGSLGTIHFSRA-PIRSAGDVRAADQQLKELFFFHMLRKGIYLAPRGMYALSLEIADAGRD---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YKX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237620 for 3317 contacts (-71.6/contact) +
2D Compatibility (PS) -41703 + (NN) -20456 + (LL) 2648
1D Compatibility (HY) -21200 + (ID) 7150
Total energy: -325481.0 ( -98.13 by residue)
QMean score : 0.535
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