Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAE---SGGLEEHLHGQLPPRCAACGG-VLRPPVVLFEEMLPEEAIDTLYRELR--KGFDAVLVVGTT------ASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
1S7G Chain:E ((5-248))
------IRKAAEILAKSKHAVVFTGAGISAESGIPTFRGEDGLWRKYDPEEV---ASISG--FKRNPRAFWEFSMEM-KD--FAEPNPAHYAIAELERMGIVKAVITQNIDMLHQRAGS--RRVLELHGSMDKLDCLDCHETYDWSEFVEDFNKGEI-PRCRKCGSYYVKPRVVLFGEPLPQR---TLFEAIEEAKHCDAFMVVGSSLVVYPAAELPYI------AKKAGAKMIIVNAEPTMADPIFDVKIIGKAGEVLPKIVEEVKR
General information:
TITO was launched using:
RESULT:
Template:
1S7G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104857 for 1892 contacts (-55.4/contact) +
2D Compatibility (PS) -24941 + (NN) -12824 + (LL) 1036
1D Compatibility (HY) -18400 + (ID) 4700
Total energy: -164686.0 ( -87.04 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_1S7G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S7G-query.scw
PDB file :
Tito_Scwrl_1S7G.pdb
: