Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAGNGTPWDATWNITVQWLAVDIACRTLMFLK---LMATYSAAFLPVVIGLDRQAAVLNPL---GSRSGVRK--LLGAAWGLSFLLAFPQLFLFHTVHCAGPVPFTQCVTKGSFKAQWQETT----YNLFTFCCLFLLPLTAMAICYSRIVLSVSRPQTRKGSHAPAGEFALPRSFDNCPRVRLRALRLALLILLTFILCWTPYYLLGMWYWFSPTMLTEVPPSLSHILFLLGLLNAPLDPLLYGAFTLGCRRGHQELSIDSSKEGSGRMLQEEIHAFRQLEVQKTVTSRRAGETKGISITSI
3VGA Chain:A ((73-289))
------------------------ACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWN--NCGQ----SQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGE----RARSTLQKEVHAAKSLAIIVGL-FALCWLPLHIINCFTFFCPD-CSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVL---------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3VGA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140731 for 1263 contacts (-111.4/contact) +
2D Compatibility (PS) -20925 + (NN) -11282 + (LL) 5236
1D Compatibility (HY) -18800 + (ID) 2750
Total energy: -189252.0 ( -149.84 by residue)
QMean score : 0.270
(partial model without unconserved sides chains):
PDB file :
Tito_3VGA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VGA-query.scw
PDB file :
Tito_Scwrl_3VGA.pdb
: