Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNQLKNNYFFAVIRGKSSEDALEIAKHAILGGIRNIEVTFSTPEASKVIKQLSDDFKNNKKIIVGAGTVMTTQLAKDAIDAGAKFLVSPHFDSDIANLANENKV------YYFPGCATATEIVVARKYKCQIIKLFPGGVV-GPDFIKDIHGPIPDVDLMPSGGVSVSNVAEWRKAGAVAVGVGSALSSKVA--TEGYDSVTKIAKQFVSALD
3VCR Chain:A ((12-216))
------TKPLIPVIVIDDLVHAIPMAKALVAGGVHLLEVTLRTEAGLAAISAIKKAVP---EAIVGAGTVCTADDFQKAIDAGAQFIVSPGLTPELIEKAKQVKLDGQWQGVFLPGVATASEVMIAAQAGITQLKCFPASAIGGAKLLKAWSGPFPDIQFCPTGGISKDNYKEYLGLPNVICAGGSWLTESKLLIEGDWNEVTRRASEIVKLSD
General information:
TITO was launched using:
RESULT:
Template:
3VCR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130110 for 1656 contacts (-78.6/contact) +
2D Compatibility (PS) -21020 + (NN) -9110 + (LL) 568
1D Compatibility (HY) -16000 + (ID) 3150
Total energy: -178822.0 ( -107.98 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_3VCR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VCR-query.scw
PDB file :
Tito_Scwrl_3VCR.pdb
: