Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALLFLALVGAAVAFPVDDDDKIVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNF-DRKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGY-GCALPDNPGVYTKVCNYVDWIQDTIAAN
2AIQ Chain:A ((1-224))
-----------------------VIGGDECNINEHRFLALVYANGSLCGGTLINQEWVLTARHCDRGNMRIYLGMHNLKVLNKDALRRFPKEKYFCLNTRNDTIWDKDIMLIRLNRPVRNSAHIAPLSLPSNPPSVGSVCRIMGWGTITSPNATLPDVPHCANINILDYAVCQAAYKG-LAATTLCAGILEGGKDTCKGDSGGPLICNGQFQGILSVGGNPCAQPRKPGIYTKVFDYTDWIQSIISGN
General information:
TITO was launched using:
RESULT:
Template:
2AIQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152890 for 1984 contacts (-77.1/contact) +
2D Compatibility (PS) -24307 + (NN) -8007 + (LL) 2084
1D Compatibility (HY) -16000 + (ID) 4500
Total energy: -203620.0 ( -102.63 by residue)
QMean score : 0.701
(partial model without unconserved sides chains):
PDB file :
Tito_2AIQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AIQ-query.scw
PDB file :
Tito_Scwrl_2AIQ.pdb
: