Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSADKPEQPEHDQEMPLVSHLTELRTRLLRSVAAIFLIFAGL-FYFSQKIYTLVSEPLRRFLPEGTSMIATDVASPFLAPFKLTMVVALFLAMPVILAQVWGFIAPGLYKHEKRVALPLLVSSIILFYAGMAFAYFLVFPMIFHFFASV--TPEGVAMMTDINSYLDFVLTLFFAFGVAFEIPVATVLLIWIGVVDVDYLKKIRPYVIIGCFVVGMVLTPPDIFSQTMLAVPMWLLFEIGLLFGRLVRKRGEHPDDQPASDGDQPPATRQ
4B4A Chain:A ((5-229))
------------------EHLRELRYRLIISIIA-FLIGSGIAFYFAKYVFEILKEPILKSYPE-VELITLSPTEPLFILIKISLAVGFIIASPVILYQFWRFIEPALYSHEKRAFIPLLLGSILLFMLGALFAYFIVLPLALKFLLGLGFTQLLATPYLSVDMYISFVLKLVVAFGIAFEMPIVLYVLQKAGVITPEQLASFRKYFIVIAFVIGAIIA-PDVSTQVLMAIPLLLLYEISIFLGKL------------------------
General information:
TITO was launched using:
RESULT:
Template:
4B4A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -254959 for 1610 contacts (-158.4/contact) +
2D Compatibility (PS) -22836 + (NN) -8201 + (LL) 1048
1D Compatibility (HY) -34000 + (ID) 4450
Total energy: -323398.0 ( -200.87 by residue)
QMean score : 0.373
(partial model without unconserved sides chains):
PDB file :
Tito_4B4A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4B4A-query.scw
PDB file :
Tito_Scwrl_4B4A.pdb
: