Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQIDLSDKLAIVSGSTAGIGFAIASGLAAAGATVVVNGRSQAA-VDRAIAAIRNGQPDARVRGVAGDLGTAEGCAAFVAAEPKA----DILVNNLGIFELKDFFDIEDAEWSRFFEVNVMSGVRLARAYVPGMVERGWGRVVFLSSESALNIPADMIHYGFSKTANLSVSRGLAKRLAGTGVTVNAVLPGPTLTEGVAEMLREDAQKAGQSIEEAGTAFVRQHRSSSIIQRLATPEEVANLVVYTCSTQASATTGAALRVDGGVLDSLA
3VDQ Chain:A ((2-256))
----LKGKKAVVTGSTSGIGLAMATELAKAGADVVINGFGQPEDIERERSTLES-KFGVKAYYLNADLSDAQATRDFIAKAAEALGGLDILVNNAGIQHTAPIEEFPVDKWNAIIALNLSAVFHGTAAALPIMQKQGWGRIINIASAHGLVASVNKSAYVAAKHGVVGLTKVTALENAGKGITCNAICPGWVRTPLVEKQIEAISQQKGIDIEAAARELLAEKQPS---LQFVTPEQLGGAAVFLSSAAADQMTGTTLSLDGGWTAR--
General information:
TITO was launched using:
RESULT:
Template:
3VDQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146682 for 2130 contacts (-68.9/contact) +
2D Compatibility (PS) -27153 + (NN) -10016 + (LL) 1032
1D Compatibility (HY) -11600 + (ID) 3950
Total energy: -198369.0 ( -93.13 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_3VDQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VDQ-query.scw
PDB file :
Tito_Scwrl_3VDQ.pdb
: