Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNYSGEVGLQYHLQIRPGDV--GRYVIMPGDPKRCAKIAEHFDNAVLVADSREYVTYTGTLNGEKVSVTSTGIGGPSASIAMEELKLCGADTFIRVGTCGGIDLDVKGGDIVIATGAIRMEGTSKEYAPIEFPAVADLEVTNALVNAAKKLGYTSHAGVVQCKDAFY-GQHEPERMP--VSYELLNKWEAWKRLGTKASEMESAALFVAASHLGVRCGSDFLVVGNQERNALGMDNPMAHDTEAAIQVAVEALRTLIENDKSQ
1RXU Chain:F ((7-253))
-----------FHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREFTTWRAELDGKPVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHINVGDVLVTTASVRLDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVTASSDTFYPGQERYDTYSGRVVRHFKGSMEEWQAMGVMNYEMESATLLTMCASQGLRAGMVAGVIVNRTQQEIPNAETMKQTESHAVKIVVEAARRLL------
General information:
TITO was launched using:
RESULT:
Template:
1RXU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115621 for 2183 contacts (-53.0/contact) +
2D Compatibility (PS) -26704 + (NN) -18484 + (LL) 664
1D Compatibility (HY) -18000 + (ID) 4950
Total energy: -183095.0 ( -83.87 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_1RXU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RXU-query.scw
PDB file :
Tito_Scwrl_1RXU.pdb
: