Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAE-FDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTAS-VAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYEADPRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
4WEC Chain:A ((24-272))
LTQRLAGKVAVITGGASGIGLATGRRLRAEGATVVVGDIDPTTGKAAADEL-----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) -190049 for 2152 contacts (-88.3/contact) +
2D Compatibility (PS) -27378 + (NN) -12918 + (LL) 20
1D Compatibility (HY) -18000 + (ID) 4750
Total energy: -253075.0 ( -117.60 by residue)
QMean score : 0.511
(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
: