Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MIRELVTTAAITGAAIGGAPVAGADPQRYDGDVPGMN-YDASLGAPC----------SSWERFIFG-RGPSGQAEA------CHFPPP---NQFPPAETG----YWV------ISYPLYGVQQVGAPCPKPQAAAQSPDGLPMLC--------LGARGWQPGWFTGAGFFPPEP------
1A1R Chain:B ((12-190))
PITAYAQQTRGLLGCIITSLT--GRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPTGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMR
General information:
TITO was launched using:
RESULT:
Template:
1A1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32829 for 827 contacts (-39.7/contact) +
2D Compatibility (PS) -14282 + (NN) -9341 + (LL) 336
1D Compatibility (HY) -4400 + (ID) 1650
Total energy: -62166.0 ( -75.17 by residue)
QMean score : 0.146
(partial model without unconserved sides chains):
PDB file :
Tito_1A1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A1R-query.scw
PDB file :
Tito_Scwrl_1A1R.pdb
: