Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQITFKKVGLDNVNILQNLAIETFRQTFSHDNSEEQLQAFFNESYTLPVLKSEITHAESDTYFVYL----DTDLVGYLKVNWGSQQTEKDLDKAFEIQRIYLLDAYQGKGIGKATFEFALDLAYKSGLDWAWLGVWEFNHKAQAFYAKYGFEKFSEHQFSVGDKVDTDWLLRKSLH
3NE7 Chain:A ((3-144))
---IEIRKLSIEDLETLIEVARESWKWTYAGIYSEEYIESWIREKYSKEKLLNEIVRSQSNLDILFLGAFADSTLIGFIEL--------KIIANKAELLRLYLKPEYTHKKIGKTLLLEAEKIMKKKGILECRLYVHRQNSVGFSFYYKNGFKVEDTDGSDFIMEKKY---------
General information:
TITO was launched using:
RESULT:
Template:
3NE7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71848 for 943 contacts (-76.2/contact) +
2D Compatibility (PS) -15186 + (NN) -7125 + (LL) 1304
1D Compatibility (HY) -9600 + (ID) 2000
Total energy: -104455.0 ( -110.77 by residue)
QMean score : 0.427
(partial model without unconserved sides chains):
PDB file :
Tito_3NE7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NE7-query.scw
PDB file :
Tito_Scwrl_3NE7.pdb
: