Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNYSGEVGLQYHLQIRPGDV--GRYVIMPGDPKRCAKIAEHFDNAVLVADSREYVTYTGTLNGEKVSVTSTGIGGPSASIAMEELKLCGADTFIRVGTCGGIDLDVKGGDIVIATGAIRMEGTSKEYAPIEFPAVADLEVTNALVNAAKKLGYTSHAGVVQCKDAFY-GQHEPERMP--VSYELLNKWEAWKRLGTKASEMESAALFVAASHLGVRCGSDFLVVGNQERNALGMDNPMAHDTEAAIQVAVEALRTLIENDKSQ
3KVV Chain:C ((7-253))
-----------FHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREFTTWRAELDGKPVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHINVGDVLVTTASVRLDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVTASSDTFYPGQERYDTYSGRVVRHFKGSMEEWQAMGVMNYEMESATLLTMCASQGLRAGMVAGVIVNRTQ---------KQTESHAVKIVVEAARRLL------
General information:
TITO was launched using:
RESULT:
Template:
3KVV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113232 for 2100 contacts (-53.9/contact) +
2D Compatibility (PS) -25706 + (NN) -18781 + (LL) 852
1D Compatibility (HY) -17600 + (ID) 4900
Total energy: -179367.0 ( -85.41 by residue)
QMean score : 0.572
(partial model without unconserved sides chains):
PDB file :
Tito_3KVV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KVV-query.scw
PDB file :
Tito_Scwrl_3KVV.pdb
: