Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKINVKYQLKNT------LIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMAE-----PSKHID----QLIQTLNINHLMKQYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
3C41 Chain:K ((7-209))
-------HQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDG--INLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEG-MTMVVVTHEMGFAREVGDRVL---
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) -112590 for 1444 contacts (-78.0/contact) +
2D Compatibility (PS) -19901 + (NN) -4750 + (LL) 1328
1D Compatibility (HY) -15600 + (ID) 3400
Total energy: -154913.0 ( -107.28 by residue)
QMean score : 0.449
(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
: