Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAGNGTPWDATWNITVQWLAVDIACRTLMFLK---LMATYSAAFLPVVIGLDRQAAVLNPL---GSRSGVRK--LLGAAWGLSFLLAFPQLFLFHTVHCAGPVP---FTQCVTKGSFKAQWQETT----YNLFTFCCLFLLPLTAMAICYSRIVLSVSRPQTRKGSHAPAGEFALPRSFDNCPRVRLRALRLALLILLTFILCWTPYYLLGMWYWFSPTMLTEVPPSLSHILFLLGLLNAPLDPLLYGAFTLGCRRGHQELSIDSSKEGSGRMLQEEIHAFRQLEVQKTVTSRRAGETKGISITSI
4UHR Chain:A ((73-289))
------------------------ACHGCLFIACFVLVLTASSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWN--NCGQPKEGKA---GCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGE----RARSTLQKEVHAAKSLAIIVGL-FALCWLPLHIINCFTFFCPD-C-HAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAAA----------------------------
General information:
TITO was launched using:
RESULT:
Template:
4UHR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148331 for 1337 contacts (-110.9/contact) +
2D Compatibility (PS) -20841 + (NN) -10226 + (LL) 4108
1D Compatibility (HY) -18400 + (ID) 2750
Total energy: -196440.0 ( -146.93 by residue)
QMean score : 0.257
(partial model without unconserved sides chains):
PDB file :
Tito_4UHR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4UHR-query.scw
PDB file :
Tito_Scwrl_4UHR.pdb
: