Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPVIKINNLNKVFGDNEVLKDINLEINQGEVVAIIGPSGSGKSTLLRCMNLLEVPTKGQVIFEGNDLTEKGTQVDKLRQKMGMVFQNFNLFPHKKVVDNIILAPKLLKKDNNDELHKEALSLLDKVGLKEKADVYPNQLSGGQKQRVAIARALAMHPDVILFDEPTSALDPEVVGDVLKVMKDLAKEGMTMVVVTHEMGFAKDVSDKVIFMADGVVVESGTPVEIFEQPQHERTQNFLARVL
3C4J Chain:B ((24-263))
--MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF
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) -145310 for 1992 contacts (-72.9/contact) +
2D Compatibility (PS) -26479 + (NN) -18167 + (LL) 68
1D Compatibility (HY) -30000 + (ID) 7200
Total energy: -227088.0 ( -114.00 by residue)
QMean score : 0.591
(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
: