Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGDKIAVIPGTFDPITNGHLDIIERAAKIFDVLYVSVLNNSSKKPLFTIEERMEMIRQVTAHLPNVQVESASGLTVDYAATRGATAIVRGLRAVSDFEYEMQIASMNRTLNADIETFFVMTNTKYSFLSSSMVKEVAQYQGDISELVPEIVNKAVQAKFK
4NAT Chain:C ((1-160))
MEHTIAVIPGSFDPITYGHLDIIERSTDRFDEIHVCVLK-----GTFSLEERMDLIEQSVKHLPNVKVHQFSGLLVDYCEQVGAKTIIRGLRAVSDFEYELRLTSMNKKLNNEIETLYMMSSTNYSFISSSIVKEVAAYRADISEFVPPYVEKALKKKFK
General information:
TITO was launched using:
RESULT:
Template:
4NAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101494 for 1185 contacts (-85.6/contact) +
2D Compatibility (PS) -16467 + (NN) -4457 + (LL) -8
1D Compatibility (HY) -19600 + (ID) 4650
Total energy: -146676.0 ( -123.78 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_4NAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NAT-query.scw
PDB file :
Tito_Scwrl_4NAT.pdb
: