Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASHELDYRILG-ESMQTVEIELDPGETVIAEAGAMNYMTGDIRFTARMGDGSDGSLLGKLWSAG-KRKLGGESVFMTHFTNEGQGKQHVAFAAPYPGSVVAVDLDDVGGRLFCQKDSFLCAAYGTRVGIAFTKRLGAGFFGGE-GFILQKLEGDGLVFVHAGGTLIRRQLNGETLRVDTGCLVAFTDGIDYDVQLAGGLKSMLFGGEGLLLTTLKGSGTVWLQSLPFSRLAGRIYDATFRAREEVRTNNG
1PG6 Chain:A ((12-238))
----RMRFTIDQNMQFPLVEIDLEHGGSVYLQQGSMVYHTENVTLNTKLNG------LGKLVGAIGRSMVSGESMFITQAMSN-G-DGKLALAPNTPGQIVALELGE--KQYRLNDGAFLALDGSAQYKMERQN-IG-------GGLFVMTTEGLGTLLANSFGSIKKITLDGGTMTIDNAHVVAWSRELDYDIHLENGFMQSIGTGEGVV-NTFRGHGEIYIQSLNLEQFAGTLKRYL------------
General information:
TITO was launched using:
RESULT:
Template:
1PG6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149084 for 1607 contacts (-92.8/contact) +
2D Compatibility (PS) -23215 + (NN) -4928 + (LL) 712
1D Compatibility (HY) -18400 + (ID) 2900
Total energy: -197815.0 ( -123.10 by residue)
QMean score : 0.401
(partial model without unconserved sides chains):
PDB file :
Tito_1PG6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PG6-query.scw
PDB file :
Tito_Scwrl_1PG6.pdb
: