Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRIQKNILREFEMESSEQALAIWSVLSDVYD------K--SPWSLSQISEDLKKDSTDYFFVYNDGEVIGFLALQQL--VGEVEITNIAVKKNYQGKGYAYQLMSMIAD-------IEVPVFLEVRYSNIVAQKLYERCGFVVLGKRKNYYHDPI-EGAIVMRKG
3KKW Chain:A ((27-178))
-----------HRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAE-RRGSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKAR-LMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKP
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) -84445 for 939 contacts (-89.9/contact) +
2D Compatibility (PS) -14468 + (NN) -2097 + (LL) 1380
1D Compatibility (HY) -2000 + (ID) 1250
Total energy: -102880.0 ( -109.56 by residue)
QMean score : 0.555
(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
: