Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQFLGEFLGTFILVLLGDGVVAGNVLSKTKEEGTGWTAIVFGWGIACTVAVYVSGLFSPAHLNPAVTLAMASIGAISWGQVIPFIIAQMLGAMVAATILWLHYY-PHWKETKDSGLILASFSTGPAIRHTPSNLLGEIIGTAILVITIM-AIGPSKVAAG-----LGPIIVGIVIFAVGFSLGPTTGYAINPARDLGPRLMHAILPIENKGDSDWSYAWIPVVGPIIGGVLGAILYNIALTLI
3CN5 Chain:A ((42-265))
----IAEFIATLLFLYITVATVIGHSKETVVCGSVGLLGIAWAFGGMIFVLVYCTAGISGGHINPAVTFGLFLARKVELLRALVYMIAQCLGAICGVGLVKAFMKGPYNQFGGGANSVALGYNKGTA-------LGAEIIGTFVLVYTVFSATDPKRSARDSHVPILAPLPIGFAVFMVHLATIPITGTGINPARSFGA----AVIFNSNK---VWDDQWIFWVGPFIGAAVAAAYHQYVLRAA
General information:
TITO was launched using:
RESULT:
Template:
3CN5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -183046 for 1922 contacts (-95.2/contact) +
2D Compatibility (PS) -21759 + (NN) 2635 + (LL) 916
1D Compatibility (HY) -18000 + (ID) 3300
Total energy: -222554.0 ( -115.79 by residue)
QMean score : 0.261
(partial model without unconserved sides chains):
PDB file :
Tito_3CN5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CN5-query.scw
PDB file :
Tito_Scwrl_3CN5.pdb
: