Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKYFLDTADVSEIRRLNRLGIVDGVTTNPTIISRE---GRDFKEVINEICQIVDGPVSAEVTGLTCDEMVTEAREIAKWSPNVVVKIPMTEEGLAAVSQLSKEGIKTNVTLIFTVAQGLSAMKAGATFISPFVGRLEDIGTDAYALIRDLRHIIDFYGFQSEIIAASIRGLAHVEGVAKCGAHIATIPDKTFASLFTHPLTDKGIETFLKDWDSFKKK
3S1W Chain:D ((1-212))
MKIFLDTANIDEIRTGVNWGIVDGVTTNPTLISKEAVNGKKYGDIIREILKIVDGPVSVEVVSTKYEGMVEEARKIHGLGDNAVVAIPMTEDGLRAIKTLSSEHINTNCTLVFNPIQALLAAKAGVTYVSPFVGRLDDIGEDGMQIIDMIRTIFNNYIIKTQILVASIRNPIHVLRSAVIGADVVTVPFNVLKSLMKHPKTDEGLAKFLEDWKKVSPD
General information:
TITO was launched using:
RESULT:
Template:
3S1W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151598 for 1793 contacts (-84.5/contact) +
2D Compatibility (PS) -22870 + (NN) -5910 + (LL) 0
1D Compatibility (HY) -23200 + (ID) 5400
Total energy: -208978.0 ( -116.55 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_3S1W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S1W-query.scw
PDB file :
Tito_Scwrl_3S1W.pdb
: