Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFFLDTASVSEIKRISELGLVDGVTTNPTIIAKE---GRPFEEVIKEICSIVDGPVSAEVIGLEADKMVEEARILAKWAPNVVVKIPMTEEGLKAVHTLTAEGIKTNVTLIFTVSQGLMAAKAGATYISPFLGRLDDIGTDGMILIKNLKKVLDNYGLKAEIISASIRHIGHLEEAAEAGAHIATIPGSLFPKLWSHPLTDKGIEGFLKDWEAFSQKEGN
3S1X Chain:D ((1-216))
MKIFLDTANIDEIRTGVNWGIVDGVTTNPTLISKEAVNGKKYGDIIREILKIVDGPVSVEVVSTKYEGMVEEARKIHGLGDNAVVKIPMTEDGLRAIKTLSSEHINTNCTLVFNPIQALLAAKAGVTYVSPFVGRLDDIGEDGMQIIDMIRTIFNNYIIKTQILVASIRNPIHVLRSAVIGADVVTVPFNVLKSLMKHPKTDEGLAKFLEDWKKVS-----
General information:
TITO was launched using:
RESULT:
Template:
3S1X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135812 for 1732 contacts (-78.4/contact) +
2D Compatibility (PS) -23124 + (NN) -3978 + (LL) 36
1D Compatibility (HY) -24400 + (ID) 5500
Total energy: -192778.0 ( -111.30 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_3S1X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S1X-query.scw
PDB file :
Tito_Scwrl_3S1X.pdb
: