Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLISTPVIFITALQDNATLKNAFNLGASDYLKKPFD-LDELEARIKRFFNDDP---IEIMPNIFYH--QHALNVKGKKEILAPKTAQLLEYFLEHKGQIISSQALENNLWEQA--IDDSTLRTYIKVLRKLLGKN----CIETHKGVGYRFNPL
2HQR Chain:A ((2-216))---RVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVS----DKNALSFVSRIKE-KHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGSNVIEIGD-LTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYP


General information:
TITO was launched using:
RESULT:

Template: 2HQR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121959 for 1401 contacts (-87.1/contact) +
2D Compatibility (PS) -22505 + (NN) -10205 + (LL) 600
1D Compatibility (HY) -12000 + (ID) 2450
Total energy: -168519.0 ( -120.28 by residue)
QMean score : 0.586

(partial model without unconserved sides chains):
PDB file : Tito_2HQR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2HQR-query.scw
PDB file : Tito_Scwrl_2HQR.pdb: