Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPLEP
4KOS Chain:A ((3-161))
MQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPLE-
General information:
TITO was launched using:
RESULT:
Template:
4KOS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120748 for 1237 contacts (-97.6/contact) +
2D Compatibility (PS) -17157 + (NN) -10441 + (LL) -140
1D Compatibility (HY) -22400 + (ID) 7950
Total energy: -178836.0 ( -144.57 by residue)
QMean score : 0.477
(partial model without unconserved sides chains):
PDB file :
Tito_4KOS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KOS-query.scw
PDB file :
Tito_Scwrl_4KOS.pdb
: