Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSAIETKKVVVEEIASKLKESKSTIIVDYRGLNVSEVTELRKQLREANVEFKVYKNTMTRRAVEQAELNGLNDFLTGPNAIAFSTEDVVAPAKVLNDFAKNHEALEIKAGVIEGKVSTVEEVKALAELPSREGLLSMLLSVLQAPVRNLALAAKAVAEQKEEQGA
5GAG Chain:I ((2-126))
-ALNLQDKQAIVAEVSEVAKGALSAVVADSRGVTVDKMTELRKAGREAGVYMRVVRNTLLRRAVEGTPFECLKDAFVGPTLIAYVTEHPGAAARLFKEFAKANAKFEVKAAAFEGELIPASQIDRL----------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
5GAG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51681 for 959 contacts (-53.9/contact) +
2D Compatibility (PS) -13299 + (NN) -2093 + (LL) 3972
1D Compatibility (HY) -8000 + (ID) 2250
Total energy: -73351.0 ( -76.49 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_5GAG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5GAG-query.scw
PDB file :
Tito_Scwrl_5GAG.pdb
: