Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFRIGQGFDVHQLVEGRPLIIGGIEIPYEKGLLGHSDADVLLHTVADACLGAVGEGDIGKHFPDTDPEFKDADSFKLLQHVWGIVKQKGYVLGNIDCTIIAQKPKMLPYIEDMRKRIAEGLEADVSQVNVKATTTEKLGFTGRAEGIAAQATVLIQKG
3IEQ Chain:A ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR-
General information:
TITO was launched using:
RESULT:
Template:
3IEQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122886 for 1326 contacts (-92.7/contact) +
2D Compatibility (PS) -16872 + (NN) -10330 + (LL) 36
1D Compatibility (HY) -14400 + (ID) 4800
Total energy: -169252.0 ( -127.64 by residue)
QMean score : 0.630
(partial model without unconserved sides chains):
PDB file :
Tito_3IEQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IEQ-query.scw
PDB file :
Tito_Scwrl_3IEQ.pdb
: