Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFFLDTASVSEIKRISELGLVDGVTTNPTIIAKE---GRPFEEVIKEICSIVDGPVSAEVIGLEADKMVEEARILAKWAPNVVVKIPMTEEGLKAVHTLTAEGIKTNVTLIFTVSQGLMAAKAGATYISPFLGRLDDIGTDGMILIKNLKKVLDNYGLKAEIISASIRHIGHLEEAAEAGAHIATIPGSLFPKLWSHPLTDKGIEGFLKDWEAFSQKEGN
3S1U Chain:D ((1-216))
MKIFLDTANIDEIRTGVNWGIVDGVTTNPTLISKEAVNGKKYGDIIREILKIVDGPVSVEVVSTKYEGMVEEARKIHGLGDNAVVKIPMTEDGLRAIKTLSSEHINTNCTLVFNPIQALLAAKAGVTYVSPFVGRLDDIGEDGMQIIDMIRTIFNNYIIKTQILVASIRNPIHVLRSAVIGADVVTVPFNVLKSLMKHPKTDEGLAKFLEDWKKVS-----
General information:
TITO was launched using:
RESULT:
Template:
3S1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141641 for 1724 contacts (-82.2/contact) +
2D Compatibility (PS) -23094 + (NN) -3584 + (LL) 36
1D Compatibility (HY) -24400 + (ID) 5500
Total energy: -198183.0 ( -114.96 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_3S1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S1U-query.scw
PDB file :
Tito_Scwrl_3S1U.pdb
: