Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSVEGPS-------PQRGMVFQQHTLFPWRRVRDNVAFG-LKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALD--FPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI
3C4J Chain:B ((36-254))
-------------------------SLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQL-ANEGMTMVVVTHEMGFAREVGDRVLFMD--GGYIIEEGKPEDLFDRPQHER-----------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3C4J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139302 for 1628 contacts (-85.6/contact) +
2D Compatibility (PS) -22790 + (NN) -15183 + (LL) 4168
1D Compatibility (HY) -16800 + (ID) 3900
Total energy: -193807.0 ( -119.05 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_3C4J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C4J-query.scw
PDB file :
Tito_Scwrl_3C4J.pdb
: