Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISIKSPKEIKALRKAGELTAQALALLEREVRPGVSLLELDKMAEDFI-KSSHARPAFKGLYGFPNSVCMSLNEVVIHGIPTDY-VLQEGDIIGLDLGVEVDGYYGDSALTLPIGAISPQDEKLLACSKESLMHAISSIRVGMHFKELSQILEGAITERGFVPLKGFCGHGIGKKPHEEPEIPNYLEKGVKANSGPKIKEGMVFCLEPMVCQKQGEPKILADKWSVVSVDGLNTSHHEHTIAIVGNKAVILTER
2GU5 Chain:A ((3-250))
---SIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSR----ETNVVLKPGMTFTIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLR
General information:
TITO was launched using:
RESULT:
Template:
2GU5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110719 for 2138 contacts (-51.8/contact) +
2D Compatibility (PS) -27232 + (NN) -10175 + (LL) 784
1D Compatibility (HY) -18000 + (ID) 4750
Total energy: -170092.0 ( -79.56 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_2GU5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GU5-query.scw
PDB file :
Tito_Scwrl_2GU5.pdb
: