Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIEQTSRGERAYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLDAQDPEKDIFLYINSPGGSISAGMAIYDTMNFVKADVQTIGMGMAASMGSFLLTAGANGKRFALPNAEIMIHQPLGGAQGQATEIEIAARHILKIKERMNTIMAEKTGQPYEVIARDTDRDNFMTAQEAKDYGLIDDIIINKSGLKG
3V5I Chain:A ((4-193))
---IPTVIE------RAYDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAAAMGSFLLAAGAKGKRFALPNAEVMIHQPLGGAQGQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVPE-----
General information:
TITO was launched using:
RESULT:
Template:
3V5I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115485 for 1391 contacts (-83.0/contact) +
2D Compatibility (PS) -19915 + (NN) -6466 + (LL) 348
1D Compatibility (HY) -23600 + (ID) 7150
Total energy: -172268.0 ( -123.84 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_3V5I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3V5I-query.scw
PDB file :
Tito_Scwrl_3V5I.pdb
: