Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKINVKYQLKNT------LIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMAE-----PSKHID----QLIQTLNINHLMKQYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
3C4J Chain:A ((22-230))
-LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDG--INLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEG-MTMVVVTHEMGFAREVGDRVL---
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) -97530 for 1538 contacts (-63.4/contact) +
2D Compatibility (PS) -20280 + (NN) -2058 + (LL) 708
1D Compatibility (HY) -16000 + (ID) 3450
Total energy: -138610.0 ( -90.12 by residue)
QMean score : 0.415
(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
: