Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHTSKETKTKEAPMFIQMSIYAAILLVSQMISMLLPKSLPIPTTVIGLVLMYVLLTAKIIKVEWVDSFGALMIS--MIGFMFVPSGISVAANLDILKAEGLQLVAV------ITISTVVMLVVVAYVARLILAIRELSVTDLFKKILPNHYSKKVEEK
2BS3 Chain:C ((25-103))
-------------------------------------------------------------KLDWWQSATGLFLGLFMIGHMFFVSTILLGDNVMLWVTKKFELDFIFEGGKPIVVSFLAAFVFAVFIAHAFLAMRKFPINYRQYLTFKTHKDLMRHGD
General information:
TITO was launched using:
RESULT:
Template:
2BS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -24910 for 345 contacts (-72.2/contact) +
2D Compatibility (PS) -7214 + (NN) -2762 + (LL) 6440
1D Compatibility (HY) -10000 + (ID) 1000
Total energy: -39446.0 ( -114.34 by residue)
QMean score : -0.029
(partial model without unconserved sides chains):
PDB file :
Tito_2BS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BS3-query.scw
PDB file :
Tito_Scwrl_2BS3.pdb
: