Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---VSLEEALLFREATVTDLKSIMNVEN---------AAFTVPWTEAAFRNEFIINQYAYYLLAIYKEQVVGYAGV--WLVLDEGHITNIAIHPDYQGNHYGEALLREMIRVAKERGVV-RMTLEVRVSNDVAQGLYKKLGFQDGAIRKNYYPDTKEDALVMWVDL--
3KKW Chain:A ((4-181))
SHHHHHHMQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERRG--STVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPLE
General information:
TITO was launched using:
RESULT:
Template:
3KKW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91318 for 1058 contacts (-86.3/contact) +
2D Compatibility (PS) -15645 + (NN) -740 + (LL) 236
1D Compatibility (HY) -2800 + (ID) 1700
Total energy: -111967.0 ( -105.83 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_3KKW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKW-query.scw
PDB file :
Tito_Scwrl_3KKW.pdb
: