Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTSILIADDDKEIVDLVKLYLQNEGYTIYQAYDGAEVWRLVQEKQPTLVILDIMMPEMNGLEVCRLMR-DNGILTPILMLSAKAEDNDKIMGLLTGADDYMVKPFNPLELSVRVKAILRRMQQMSQAEPVSQDKVIIGPIVVDRGLHVVTVGGKELHLTTSEFDILFLLASEPGRVFSSEYIFEKIWQEKALGASKTVMVHISNLRDKLREAMGGENVIKTIWGVGYKIEI
2GWR Chain:A ((8-224))
----ILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRADSGV--PIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRA----RLRRNDDEPA--EMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR--ADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYK---
General information:
TITO was launched using:
RESULT:
Template:
2GWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152365 for 1674 contacts (-91.0/contact) +
2D Compatibility (PS) -23055 + (NN) -13304 + (LL) 2016
1D Compatibility (HY) -18800 + (ID) 4250
Total energy: -209758.0 ( -125.30 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_2GWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GWR-query.scw
PDB file :
Tito_Scwrl_2GWR.pdb
: