Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSG-LKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
1WXI Chain:A ((3-265))
---LQQQIIKALGAKPQINAEEEIR----RSVDFLKSYLQTYPFIKSLVLGISGGQDSTLAGKLCQMAINELRLETGNESLQFIAVRLPYGVQADEQDCQDAIAFIQPDRVLTVNIKGAVLA-SEQALREAGIE--LSDFVRGNEKARERMKAQYSIAGMTSGVVVGTDHAAEAITGFFTKYGDGGTDINPLYRLNKRQGKQLLAALACPEHLYKKA-------------DEVALGVTYDNIDDYLEGKNVPQQVARTIENWYLKTEHKRRPP---
General information:
TITO was launched using:
RESULT:
Template:
1WXI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102996 for 1953 contacts (-52.7/contact) +
2D Compatibility (PS) -27679 + (NN) -17858 + (LL) 1360
1D Compatibility (HY) -16400 + (ID) 6200
Total energy: -169773.0 ( -86.93 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_1WXI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WXI-query.scw
PDB file :
Tito_Scwrl_1WXI.pdb
: