Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYSLQVEDIH---KRYGSHEVLRGVSLRAGKGDVISIIGSSGSGKSTFLRCVNFLEKPCAGHIRVGDEELRTRPGALGELRAADPRQLQRIRSRLAMVFQHFNLWSHLTVLENVVECPVNVLRMNRDDAVARARHYLAKVGLAEKVERQYPCELSGGQQQRVAIARALAMEPQVMLFDEPTSALDPELVGEVLKVMQQLAEEGRTMVLVTHEMAFARQVSSHVIFLHQGVIEEEGTPDQVFGAPRSERLRQFLAGNLK
3C41 Chain:J ((1-239))
---LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLK-----------AKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKA-HAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLS----
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) -137977 for 1936 contacts (-71.3/contact) +
2D Compatibility (PS) -25175 + (NN) -9915 + (LL) 876
1D Compatibility (HY) -27200 + (ID) 6500
Total energy: -205891.0 ( -106.35 by residue)
QMean score : 0.488
(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
: