Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLDSDARLASDLSLAVMRLSRQLRFRNPS---------SPVSLS--QLSALTTLANEGAMTPGALAIRERVRPPSMTRVIASLADMGFVDRAPHPIDGRQVLVSVSESGAELVKAARRARQEWLAERLATLNRSERDILRSAADLMLALVDESP
3VOE Chain:A ((9-113))
-------------NEIIPLGRLIHMVNQKKDRLLNEYLSPLDITAAQFKVLCSIRCAACITPVELKKVLSVDLGALTRMLDRLVCKGWVERLPNPNDKRGVLVKLTTGGAAICEQCHQ------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3VOE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -46749 for 568 contacts (-82.3/contact) +
2D Compatibility (PS) -9892 + (NN) -2127 + (LL) 4224
1D Compatibility (HY) -8400 + (ID) 1300
Total energy: -64244.0 ( -113.11 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_3VOE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VOE-query.scw
PDB file :
Tito_Scwrl_3VOE.pdb
: