Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVFQHDIYAGQQVLVTGGSSGIGAAIAMQFAELGAEVVALGLDADGVHAPRH---PRIRREELDITDSQRLQRLFEALPR----LDVLVNNAGISRD------REEYDLATFERVLRLNLSAAM-LASQLARPLLAQRGGSILNIASMYSTFGSADRPAYSASKGAIVQLTRSLACEYAAERIRVNAIAPGWIDTPLGAGLKADVEATRRIMQRTPLARWGEAPEVASAAAFLCGPGASFVTGAVLAVDGGYLCA
4WK6 Chain:B ((12-247))
---------GKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEE----EWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVASVVGTM----QANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALN-DEQRTATLAQ-VPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGG----
General information:
TITO was launched using:
RESULT:
Template:
4WK6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139841 for 1795 contacts (-77.9/contact) +
2D Compatibility (PS) -23953 + (NN) -12686 + (LL) 1976
1D Compatibility (HY) -16400 + (ID) 4100
Total energy: -195004.0 ( -108.64 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_4WK6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WK6-query.scw
PDB file :
Tito_Scwrl_4WK6.pdb
: