Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVLYGHSTQDLPETNARVVGGTEAGRNSWPSQISLQYRSGGSRYHTCGGTLIRQNWVMTAAHCVDYQKTFRVVAGDHNLSQNDGTEQYVSVQKIVVHPYWNSDNVAAGYDIALLRLAQSVTLNSYVQLGVLPQEGA---ILANNSPCYITGWGKTKTNGQLAQTLQQAYLPSVDYAICSSSSYWGSTVKNTMVCAGG-DGVRSGCQGDSGGPLHCLVNGKYSVHGVTSFVSSRGCNVSRKPTVFTQVSAYISWINNVIASN
2WPH Chain:S ((1-234))
------------------VVGGEDAKPGQFPWQVVLNGK----VDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNFNAAINTYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGS-GYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRS--TKFTITNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWG--EECAMKGKYGIYTKVSRYVNWIKEKTKL-
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) -185324 for 1984 contacts (-93.4/contact) +
2D Compatibility (PS) -25049 + (NN) -7062 + (LL) 528
1D Compatibility (HY) -13600 + (ID) 4300
Total energy: -234807.0 ( -118.35 by residue)
QMean score : 0.443
(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
: