Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VTEVSMSLTGHLKELRTRLLIILLSFFLAFFVGLFVSKPLILFLQKDDLPK--EVILHVFKVTDAFQIYIEMAFVIGLVLVFPVILYQLWAFVKPGLHASEQRITLRYIPI---TFLLFLFGVVFSYLITFPFILKFMFQFA-AELGVETTIGLATYFQFLLQIVLSFGVLFELPMVIMLLTRLSLITPNGMRHSRKYAYFCLLIIAAFIAPPEILSHLMITIPLIGLYEISIVVSGLTVRRMDKEMNNV
4HTT Chain:A ((7-231))
---------EHLRELRYRLIISIIAFLIGSGIAFYFAKYVFEILKEPILKSYPEVELITLSPTEPLFILIKISLAVGFIIASPVILYQFWRFIEPALYSHEKRA---FIPLLLGSILLFMLGALFAYFIVLPLALKFLLGLGFTQLLATPYLSVDMYISFVLKLVVAFGIAFEMPIVLYVLQKAGVITPEQLASFRKYFIVIAFVIGAIIA-PDVSTQVLMAIPLLLLYEISIFLGKL------------
General information:
TITO was launched using:
RESULT:
Template:
4HTT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -238609 for 1525 contacts (-156.5/contact) +
2D Compatibility (PS) -22548 + (NN) -6618 + (LL) 2092
1D Compatibility (HY) -36400 + (ID) 3850
Total energy: -305933.0 ( -200.61 by residue)
QMean score : 0.338
(partial model without unconserved sides chains):
PDB file :
Tito_4HTT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HTT-query.scw
PDB file :
Tito_Scwrl_4HTT.pdb
: