Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKQHAFTREDLLRCSRGELFGPGNAQLPAPNMLMIDRIVHISDVGGKYGKGELVAELDINPDLWFFACHFEGDPVMPGCLGLDAMWQLVGFYLGWQGNPGRGRALGSGEVKFFGQVLPTAKKVTYNIHIKRTINRSLVLAIADGTVSVDGREIYSAEGLRVGLFTSTDSF
4CL6 Chain:B ((2-171))
-TKQHAFTREDLLRCSRGELFGPGNAQLPAPNMLMIDRIVHISDVGGKYGKGELVAELDINPDLWFFACHFEGDPVMPGCLGLDAMWQLVGFYLGWQGNPGRGRALGSGEVKFFGQVLPTAKKVTYNIHIKRTINRSLVLAIADGTVSVDGREIYSAEGLRVGLFTSTDSF
General information:
TITO was launched using:
RESULT:
Template:
4CL6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128408 for 1335 contacts (-96.2/contact) +
2D Compatibility (PS) -17873 + (NN) -8133 + (LL) 208
1D Compatibility (HY) -25200 + (ID) 8500
Total energy: -187906.0 ( -140.75 by residue)
QMean score : 0.604
(partial model without unconserved sides chains):
PDB file :
Tito_4CL6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CL6-query.scw
PDB file :
Tito_Scwrl_4CL6.pdb
: