Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKILTVEDDKLIREGISEYLSEFGYTVIQAKDGREALSKFN-SDINLVILDIQIPFINGLEVLKEIRK-KSNLPILILTAFSDEEYKIDAFTNLVDGYVEKPFS-LPVLKARIDSLIKKNFGHLEKFEYKNLSVNFNSYTAKINDEKIDVNAKELEILKCLLDNDGQVLTRMQIIDYVWKDSEEIPYDRVVDVYIKELRKKLQL----DCITTIRNVGYKLERK
2HQR Chain:A ((1-216))
MRVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVS----DKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGS--NVIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPE-MVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYP
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) -111966 for 1454 contacts (-77.0/contact) +
2D Compatibility (PS) -23315 + (NN) -11208 + (LL) 712
1D Compatibility (HY) -13600 + (ID) 2250
Total energy: -161627.0 ( -111.16 by residue)
QMean score : 0.614
(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
: