Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQITFKKVGLDNVNILQNLAIETFRQTFSHDNSEEQLQAFFNESYTLPVLKSEITHAESDTYFVYL----DTDLVGYLKVNWGSQQTEKDLDKAFEIQRIYLLDAYQGKGIGKATFEFALDLAYKSGLDWAWLGVWEFNHKAQAFYAKYGFEKFSEHQFSVGDKVDTDWLLRKSLH
3FIX Chain:A ((27-168))
---IEIRKLSIEDLETLIEVARESWKWTYAGIYSEEYIESWIREKYSKEKLLNEIVRSQSNLDILFLGAFADSTLIGFIEL--------KIIANKAELLRLYLKPEYTHKKIGKTLLLEAEKIMKKKGILECRLYVHRQNSVGFSFYYKNGFKVEDTDGSDFIMEKKY---------
General information:
TITO was launched using:
RESULT:
Template:
3FIX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70879 for 942 contacts (-75.2/contact) +
2D Compatibility (PS) -15056 + (NN) -6331 + (LL) 1304
1D Compatibility (HY) -9600 + (ID) 2000
Total energy: -102562.0 ( -108.88 by residue)
QMean score : 0.375
(partial model without unconserved sides chains):
PDB file :
Tito_3FIX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FIX-query.scw
PDB file :
Tito_Scwrl_3FIX.pdb
: