Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAY-DNKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFADNIKISYM-----------------PQN--FSISKLMPITVEYFLLNSFSKKLKKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVP--CSDYIICINHTIYCQGKPGKIMEDRTLGEIFSSYIAK
3GFO Chain:A ((4-237))
-------------------EDYILKVEELNYNYSDGTHALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILF-DNKPIDYSRKGIMKLRESIGIVFQDPDNQLFSASVYQDVSFGAVNMKLPEDEIRKR---VDNALKRTGIEHLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDI-DIVPLYCDNVFVMKEGRVILQGNPKEVFAEKEVIRKVNLRLPR
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) -177876 for 1585 contacts (-112.2/contact) +
2D Compatibility (PS) -23151 + (NN) -10622 + (LL) 1748
1D Compatibility (HY) -17200 + (ID) 3200
Total energy: -230301.0 ( -145.30 by residue)
QMean score : 0.538
(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
: