Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQWVDCEFTGRDFRDEDLSRLHTERAMFSECDFSGVNLAESQHRGSAF------RNCTFERTTLWHSTFAQCSM----------LGSVFVACRLRPLTLDDVDFTLAVLGGNDLRGLNLTGCRLRETSLVDTDLRKCVLRGADLSGARTTGARLDDADLRGATVDPVLWRTASLVGARVDVDQAVAFAAAHGLCLAGG
3PSS Chain:A ((7-175))
--------FEGVRFEQQDLEGEQFQGCRFIGCNFSWLDLAECRFVDCSFYDRESEQSCLLQGCDLREASFLRCDLTMADCSRSQCLGLELRDCQALGINFSRASFANQITV-SYFCEAHLTGNNFSYANFEGCLLEQCELSGNRWQGANLFGASLAGSDLSGSEFGQIDWASVNLQG----------------------
General information:
TITO was launched using:
RESULT:
Template:
3PSS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114974 for 1160 contacts (-99.1/contact) +
2D Compatibility (PS) -15246 + (NN) 3400 + (LL) 2428
1D Compatibility (HY) -8400 + (ID) 1950
Total energy: -134742.0 ( -116.16 by residue)
QMean score : 0.362
(partial model without unconserved sides chains):
PDB file :
Tito_3PSS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PSS-query.scw
PDB file :
Tito_Scwrl_3PSS.pdb
: