Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSAIETKKVVVEEIASKLKESKSTIIVDYRGLNVSEVTELRKQLREANVEFKVYKNTMTRRAVEQAELNGLNDFLTGPNAIAFSTEDVVAPAKVLNDFAKNHEALEIKAGVIEGKVSTVEEVKALAELPSREGLLSMLLSVLQAPVRNLALAAKAVAEQKEEQGA
5GAE Chain:I ((2-126))
-ALNLQDKQAIVAEVSEVAKGALSAVVADSRGVTVDKMTELRKAGREAGVYMRVVRNTLLRRAVEGTPFECLKDAFVGPTLIAYVTEHPGAAARLFKEFAKANAKFEVKAAAFEGELIPASQIDRL----------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
5GAE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49156 for 949 contacts (-51.8/contact) +
2D Compatibility (PS) -13314 + (NN) -1917 + (LL) 3972
1D Compatibility (HY) -8000 + (ID) 2250
Total energy: -70665.0 ( -74.46 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_5GAE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5GAE-query.scw
PDB file :
Tito_Scwrl_5GAE.pdb
: