Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNYSGEVGLQYHLQIRPGDV--GRYVIMPGDPKRCAKIAEHFDNAVLVADSREYVTYTGTLNGEKVSVTSTGIGGPSASIAMEELKLCGADTFIRVGTCGGIDLDVKGGDIVIATGAIRMEGTSKEYAPIEFPAVADLEVTNALVNAAKKLGYTSHAGVVQCKDAFY-GQHEPERMP--VSYELLNKWEAWKRLGTKASEMESAALFVAASHLGVRCGSDFLVVGNQERNALGMDNPMAHDTEAAIQVAVEALRTLIENDKSQ
1RXS Chain:H ((7-253))
-----------FHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREFTTWRAELDGKPVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHINVGDVLVTTASVRLDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVTASSDTFYPGQERYDTYSGRVVRHFKGSMEEWQAMGVMNYEMESATLLTMCASQGLRAGMVAGVIVNRTQQEIPNAETMKQTESHAVKIVVEAARRLLSDVFHL
General information:
TITO was launched using:
RESULT:
Template:
1RXS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120466 for 2151 contacts (-56.0/contact) +
2D Compatibility (PS) -27258 + (NN) -19330 + (LL) 560
1D Compatibility (HY) -18000 + (ID) 4950
Total energy: -189444.0 ( -88.07 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_1RXS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RXS-query.scw
PDB file :
Tito_Scwrl_1RXS.pdb
: