Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQILEDYDGRALPKLETDRLILRQRTVGDVPAMFDYVCLE-EV-AYPAGL-SPIASLEDEYDYFENRYYQNLEKAKLPSGYGITVKGSDRIIGSCAFNHRREDDVFEIG-YLLHPDYWGHGYMTEAVAALIEVGFTLLNLHKIEIRCYDYNKQSQRVAEKLGFTLEATIRDRKDNQGNRCVNLIYGLLRSEWE
3OWC Chain:A ((13-181))
------------------ELQLVPFQLGHFPILQRWFATEKELVQWAGPALRHPLSLEQMHEDLAESRRRP------PLRLLWSACRDDQVIGHCQLLFDRRNGVVRLARIVLAPSARGQGLGLPMLEALLAEAFADADIERVELNVYDWNAAARHLYRRAGFREEGLRRSATRVGRERWNVVLMGLLRQEWA
General information:
TITO was launched using:
RESULT:
Template:
3OWC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86626 for 1156 contacts (-74.9/contact) +
2D Compatibility (PS) -17684 + (NN) -6477 + (LL) 1908
1D Compatibility (HY) -8800 + (ID) 1900
Total energy: -119579.0 ( -103.44 by residue)
QMean score : 0.395
(partial model without unconserved sides chains):
PDB file :
Tito_3OWC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OWC-query.scw
PDB file :
Tito_Scwrl_3OWC.pdb
: