Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAE-FDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTAS-VAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYEADPRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
4WEC Chain:C ((26-272))
--QRLAGKVAVITGGASGIGLATGRRLRAEGATVVVGDIDPTTGKAAADEL-----EGLFVPVDVSEQEAVDNLFDTAASTFGRVDIAFNNAGISPPEDDLIENTDLPAWQRVQDINLKSVYLSCRAALRHMVPAGKGSIINTASFVAVMGSATSQISYTASKGGVLAMSRELGVQYARQGIRVNALCPGPVNTPLLQELFAKDPERAARRLVHIPLGRFAEPEELAAAVAFLASDDASFITGSTFLVDGGISSA
General information:
TITO was launched using:
RESULT:
Template:
4WEC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -190635 for 2131 contacts (-89.5/contact) +
2D Compatibility (PS) -27253 + (NN) -13742 + (LL) 200
1D Compatibility (HY) -17600 + (ID) 4750
Total energy: -253780.0 ( -119.09 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_4WEC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WEC-query.scw
PDB file :
Tito_Scwrl_4WEC.pdb
: