Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEVKNLSKHFGGLTAVGDVSMKLHKGELIGLIGPNGAGKTTLFNLLTGVYLPSKGTISLDGKILNGRKPAKIASLGLGRTFQNIRLFKNMTVLDNVLVGLSNHHLSHPIASFLRLPKYYHSEKALRKKALELLEIFGLKAYQDALAKNLPYGKQRRLEIVRALATEPKILFLDEPAAGMNPQETAELTQLISQIKSDFDITIMLIEHDMNLVMQVTERIYVLEYGRLIAHGTPEEIKNNKRVIEAYLGGEL
4P33 Chain:B ((1-235))
-ATLTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLM-------------AVLQIRDDLSAEQR-EDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDQPFAGVDPISVIDIKRIIEHLR-DSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYLG---
General information:
TITO was launched using:
RESULT:
Template:
4P33.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147670 for 1917 contacts (-77.0/contact) +
2D Compatibility (PS) -25676 + (NN) -8400 + (LL) 1040
1D Compatibility (HY) -17600 + (ID) 4200
Total energy: -202506.0 ( -105.64 by residue)
QMean score : 0.641
(partial model without unconserved sides chains):
PDB file :
Tito_4P33.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P33-query.scw
PDB file :
Tito_Scwrl_4P33.pdb
: