Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MACERLGGQSGAADVDAAAPAMAAVNLTLGFAGKTVLDQVSMGFPARAVTSLMGPTGSGKTTFLRTLNRMNDKVSGYRYSGDVLLGGRSIFNYRDVLEFRRRVGMLFQRPNPFPMSIMDNVLAGVRAHKLVPRKEFRGVAQARLTEVGLWD---AVKDRLSDSPFRLSGGQQQLLCLARTLAVNPEVLLLDEPTSALDPTTTEKIEEFIRSLADRLTVIIVTHNLAQAARISDRAALFFDGRLVEEGPTEQLFSSPKHAETARYVAGLSGDVKDAKRGN
4AYW Chain:A ((390-598))
-----------------------------------IFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASG-----TISLDGHDIRQLNPVW-LRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGRTVLVIAHHLS-TIKNANMVAVLDQGKITEYGKHEE----------------------------
General information:
TITO was launched using:
RESULT:
Template:
4AYW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118115 for 1511 contacts (-78.2/contact) +
2D Compatibility (PS) -21047 + (NN) -1020 + (LL) 3680
1D Compatibility (HY) -12800 + (ID) 3250
Total energy: -152552.0 ( -100.96 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_4AYW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AYW-query.scw
PDB file :
Tito_Scwrl_4AYW.pdb
: