Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLLVVASLVLYGHSTQDFPETNARVVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRELTFRVVVGEHNLNQNDGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGT---ILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSYWGSTVKNSMVCAGG-DGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN
2WPH Chain:S ((1-234))
--------------------------VVGGEDAKPGQFPWQVVLNGK----VDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNFNAAINTYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGS-GYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRS--TKFTITNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGE--ECAMKGKYGIYTKVSRYVNWIKEKTKL-
General information:
TITO was launched using:
RESULT:
Template:
2WPH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -211421 for 1984 contacts (-106.6/contact) +
2D Compatibility (PS) -24937 + (NN) -6035 + (LL) 2088
1D Compatibility (HY) -14400 + (ID) 4300
Total energy: -259005.0 ( -130.55 by residue)
QMean score : 0.636
(partial model without unconserved sides chains):
PDB file :
Tito_2WPH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WPH-query.scw
PDB file :
Tito_Scwrl_2WPH.pdb
: