Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDN-KKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFAD-------------NIKISYMPQNFSISKLMPITVEYFLLNSFSKKL---KKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICIN-HTIYCQGKPGKIMEDRTLGEIFSSYIAK
3GFO Chain:A ((4-236))
-------------------EDYILKVEELNYNYSDGTHALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILFDNKPIDYSRKGIMKLRESIGIVFQDPDN-QLFSASVYQDVSFGAVNMKLPEDEIRKRVDNALKRTGIEHLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEVFAEKEVIRKVNLRLPR
General information:
TITO was launched using:
RESULT:
Template:
3GFO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -225685 for 1721 contacts (-131.1/contact) +
2D Compatibility (PS) -23296 + (NN) -12141 + (LL) 1320
1D Compatibility (HY) -14000 + (ID) 2700
Total energy: -276502.0 ( -160.66 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_3GFO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GFO-query.scw
PDB file :
Tito_Scwrl_3GFO.pdb
: