Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLEIKELKKSYAIDRGLFKPKRVIHALNGISFEVEQNEVLSIVGESGCGKSTTAKILAGIERQDSGAIYFNGKRHLHFSKQDWFDYRKKVQMIFQDPYSSLNPRWKVGEIIAEPLLLNSHFSKKEIKTKVLEIMQKVGLKLEWIDRYPHQFSGGQRQRIGIARALILHPSVVICDEPVSALDVSIQAQVLNLLLDLQKEMGLTYIFISHDLGVVEHISDKIIVMNQGQIVETGDVDSVISAPKHPYTQKLLNAVPHLEKSMQRFAE
4YMU Chain:A ((14-239))
-------------------------LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVK-INNGKVNINKVRQKVGMVFQ--HFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGL-LDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL-----------
General information:
TITO was launched using:
RESULT:
Template:
4YMU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161835 for 1806 contacts (-89.6/contact) +
2D Compatibility (PS) -24477 + (NN) -9853 + (LL) 3280
1D Compatibility (HY) -20000 + (ID) 3900
Total energy: -216785.0 ( -120.04 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_4YMU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMU-query.scw
PDB file :
Tito_Scwrl_4YMU.pdb
: