Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSADKPEQPEHDQEMPLVSHLTELRTRLLRSVAAIFLIFAGL-FYFSQKIYTLVSEPLRRFLPEGTSMIATDVASPFLAPFKLTMVVALFLAMPVILAQVWGFIAPGLYKHEKRVALPLLVSSIILFYAGMAFAYFLVFPMIFHFFASV--TPEGVAMMTDINSYLDFVLTLFFAFGVAFEIPVATVLLIWIGVVDVDYLKKIRPYVIIGCFVVGMVLTPPDIFSQTMLAVPMWLLFEIGLLFGRLVRKRGEHPDDQPASDGDQPPATRQ
4HTS Chain:A ((9-236))
------------------EHLRELRYRLIISIIA-FLIGSGIAFYFAKYVFEILAAPILKSYPE-VELITLSPTEPLFILIKISLAVGFIIASPVILYQFWRFIEPALYSHEKRAFIPLLLGSILLFMLGALFAYFIVLPLALKFLLGLGFTQLLATPYLSVDMYISFVLKLVVAFGIAFEMPIVLYVLQKAGVITPEQLASFRKYFIVIAFVIGAIIA-PDVSTQVLMAIPLLLLYEISIFLGKLATR---------------------
General information:
TITO was launched using:
RESULT:
Template:
4HTS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -257887 for 1652 contacts (-156.1/contact) +
2D Compatibility (PS) -23131 + (NN) -7511 + (LL) 692
1D Compatibility (HY) -33600 + (ID) 4400
Total energy: -325837.0 ( -197.24 by residue)
QMean score : 0.337
(partial model without unconserved sides chains):
PDB file :
Tito_4HTS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HTS-query.scw
PDB file :
Tito_Scwrl_4HTS.pdb
: