Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSASILNAQNLSKVVGSAEGKLTILHDLSLDLARGDSLAIVGSSGSGKSTLLGLLAGLDQPSGGEVRLAGHALGDLDEDQRARVRAAHVGFVFQSFQLLDSLDALENVML-PLELEG--RADARQRARELLERVGLGQRLGHYPRQLSGGEQQRVAIARAFAAEPDVLFADEPTGNLDSATGERISDLLFELNRERGTTLVLVTHDERLAHRC-RRLIRLESGRLIDRVEP
3C41 Chain:K ((3-222))
----MIDVHQLKKSFGSLE----VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLN-KVRE-EVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKP
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106871 for 1733 contacts (-61.7/contact) +
2D Compatibility (PS) -23621 + (NN) -11811 + (LL) 804
1D Compatibility (HY) -22400 + (ID) 4050
Total energy: -167949.0 ( -96.91 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: