Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIEQTSRGERAYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLDAQDPEKDIFLYINSPGGSISAGMAIYDTMNFVKADVQTIGMGMAASMGSFLLTAGANGKRFALPNAEIMIHQPLGGAQGQATEIEIAARHILKIKERMNTIMAEKTGQPYEVIARDTDRDNFMTAQEAKDYGLIDDIIINKSGLKG
4EMP Chain:V ((9-197))
---IPTVIETTNRGERAYDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPNAEVMIHQPLGGAQGQATEIAIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVP------
General information:
TITO was launched using:
RESULT:
Template:
4EMP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114635 for 1420 contacts (-80.7/contact) +
2D Compatibility (PS) -20385 + (NN) -7168 + (LL) 236
1D Compatibility (HY) -23600 + (ID) 7350
Total energy: -172902.0 ( -121.76 by residue)
QMean score : 0.540
(partial model without unconserved sides chains):
PDB file :
Tito_4EMP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4EMP-query.scw
PDB file :
Tito_Scwrl_4EMP.pdb
: