Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKPVTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTERKVGYLFQNLALFPNMNVYENIAFGLKVKKKKKKEQAEIQQQVRKMSDYLQISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETR-------LICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
3FVQ Chain:B ((35-222))
---------------------------IIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNT--NLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQE---RQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSA-------VFVSHDREEALQYADRIAVMKQGRILQTAS
General information:
TITO was launched using:
RESULT:
Template:
3FVQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64313 for 1308 contacts (-49.2/contact) +
2D Compatibility (PS) -19598 + (NN) -5750 + (LL) 3156
1D Compatibility (HY) -11600 + (ID) 3750
Total energy: -101855.0 ( -77.87 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_3FVQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FVQ-query.scw
PDB file :
Tito_Scwrl_3FVQ.pdb
: