Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LVKILVVDDEASIVTLLQFNIEKAGFEVVTAEDGRTGYELALSEKPDLIVLDLMLPEMDGIEVTKKLRQDKVNVPILMLTAKDEELDKIIGLELGADDYMTKPFS-PREVVARIKAILRRTEGKAEIIEELTEDVEATILIGDLKILPDSYEVYLQDDLLDLTPKEFELLLFLANHRGKVFSRDQLLDTVWNYDYVGETRIVDVHVSHLRDKIELDTKQPKYIKTIRGFGYKMENVK
2HQR Chain:A ((1-217))
-MRVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVS----DKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGSN-------------VIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLG-ISTVETVRRRGYRFCYP-
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) -100539 for 1529 contacts (-65.8/contact) +
2D Compatibility (PS) -23774 + (NN) -11904 + (LL) 2340
1D Compatibility (HY) -13600 + (ID) 2650
Total energy: -150127.0 ( -98.19 by residue)
QMean score : 0.535
(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
: