Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPATVLDSILEGVRADVAAREASVSLSEIKAAAAAAPPPLDVMAAL---REPG-IGVIAEVKRASPSAGALATIADPAKLAQAYQDGGARIVSVVTEQRRFQGSLDDLDAVRASVSIPVLRKDFVVQPYQIHEARAHGADMLLLIVAALEQSVLVSMLDRTESLGMTALVEVHTEQEADRALKAGAKVIGVNARDLMTLDVDRDCFARIAPGLPSSVIRIAESGVRGTADLLAYAGAGADAVLVGEGLVTSGDPRAAVADLVTAGTHPSCPKPAR
3TSM Chain:A ((9-267))
-----ILRKIEAYKREEIAAAKARLALDELKARTRDQSAPRGFLKALEAKRAAGQFALIAEIKKASPSKGLIRPDFDPPALAKAYEEGGAACLSVLTDTPSFQGAPEFLTAARQACSLPALRKDFLFDPYQVYEARSWGADCILIIMASVDDDLAKELEDTAFALGMDALIEVHDEAEMERALKLSSRLLGVNNRNLRSFEVNLAVSERLAKMAPSDRLLVGESGIFTHEDCLRLEKSGIGTFLIGESLMRQHDVAAATRALLT------------
General information:
TITO was launched using:
RESULT:
Template:
3TSM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166185 for 2081 contacts (-79.9/contact) +
2D Compatibility (PS) -28844 + (NN) -16477 + (LL) 220
1D Compatibility (HY) -20800 + (ID) 5050
Total energy: -237136.0 ( -113.95 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_3TSM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TSM-query.scw
PDB file :
Tito_Scwrl_3TSM.pdb
: