Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPNEALGLIEVTGFLGAVVAADTCLKAANVELIQCEVISGGLTTVELTGDVGAVNAAIEAGKAATEDL--GCLVSSHVIARMSEDTKALF-VPQEEAKPQPKEIKQEEPKEVIQKVVEVNTNTKSTEKKLRAMKVIDLRKLAYTLDNVPIPKSKIKYANKDKLVHALKDIYGRSEN
3BN4 Chain:B ((4-93))
----AVGMIETLGFPAVVEAADSMVKAARVTLVGYEKIGSGRVTVIVRGDVSEVQASVTAGIENIRRVNGGEVLSNHIIARPHENLEYVLPIRY----------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3BN4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54643 for 656 contacts (-83.3/contact) +
2D Compatibility (PS) -9370 + (NN) -1870 + (LL) 6132
1D Compatibility (HY) -7200 + (ID) 1700
Total energy: -68651.0 ( -104.65 by residue)
QMean score : 0.492
(partial model without unconserved sides chains):
PDB file :
Tito_3BN4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BN4-query.scw
PDB file :
Tito_Scwrl_3BN4.pdb
: