Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRIDPSKLELEERLVTVNRVAKVVKGGRRFRFAALVVVGDKNGHVGFGTGKAQEVPEAIRKAVEDAKKNLIEVPMVGTTIPHEIIGRFGAGNILLKPASEGTGVIAGGPVRAVLELAGVADILSKSLGSNTPINMIRATLQGLSELKRAEDVAKLRGKSVEELLG
1PKP Chain:A ((4-148))
---INPNKLELEERVVAVNRVAKVVKGGRRLRFSALVVVGDKNGHVGFGTGKAQEVPEAIRKAIEDAKKNLIEVPIVGTTIPHEVIGHFGAGEIILKPASEGTGVIAGGPARAVLELAGISDILSKSIGSNTPINMVRATFDGLKQLK------------------
General information:
TITO was launched using:
RESULT:
Template:
1PKP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88314 for 1220 contacts (-72.4/contact) +
2D Compatibility (PS) -15313 + (NN) -2359 + (LL) 1800
1D Compatibility (HY) -18400 + (ID) 6200
Total energy: -128786.0 ( -105.56 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_1PKP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PKP-query.scw
PDB file :
Tito_Scwrl_1PKP.pdb
: