Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHALIVVAHHHPRSLTHALAARIAEGVVRAGHSAETADLAAEGFEPR-----------------FGLADHAVHRGQASPPADVLAEQARIDRADTLVLVYPIYWWSMPALLKGWIDRVFSNGWAFD---YSIGGDLRKKLQRLRVVLVGVGGADAGTFERHGYAGAMRT---QIDHGIFDYCGARVVRSELLLESESADPIRHLDQALHIGSQLFAARGAQGAAQAQPLEA
3NHS Chain:A ((6-195))
---LIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNFEPRATDKDITGTLSNPEVFNYGVETHEAYK-QRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTT----GGTAEMYTKTGVNGDSRYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHF
General information:
TITO was launched using:
RESULT:
Template:
3NHS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104202 for 1204 contacts (-86.5/contact) +
2D Compatibility (PS) -17867 + (NN) -7222 + (LL) 264
1D Compatibility (HY) -13600 + (ID) 3050
Total energy: -145677.0 ( -120.99 by residue)
QMean score : 0.415
(partial model without unconserved sides chains):
PDB file :
Tito_3NHS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NHS-query.scw
PDB file :
Tito_Scwrl_3NHS.pdb
: