Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKGYRILIVEDDVMIGDLLQKILQREGYRVIWKTDGADVLSVI--QKVDLVIMDVMLPGEDGYQMSAKIKKLGLGIPVIFLSARNDMDSKLQGLQIG-EDYMVKPFD-PRELLLRMRNMLEHHYGTFTQIKHLYIDAVTKKVFNESLHDEVLFTAIERKIFFYLYENRDSILTKEHFFEYLWQLED-RNPNIVNVHIKKIRAKINDQA-GEMIENIYGEGYRLNTVVKK
2HQR Chain:A ((2-218))
----RVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVS----DKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGSNVIEIGDLTISPDEEKIIYK--GREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYPK--
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) -120733 for 1479 contacts (-81.6/contact) +
2D Compatibility (PS) -22985 + (NN) -12374 + (LL) 904
1D Compatibility (HY) -12400 + (ID) 2400
Total energy: -169988.0 ( -114.93 by residue)
QMean score : 0.395
(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
: