Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTIGTRKRVAVVTGASSGIGEATARTL--AAQG-FHVVAVARRADRITALANQIGGTAIVA-------DVTD----DAAVEALARALSRVDVLVNNAGGAKGLQFVADADLEHWRWMWDTNVLGTLRVTRALLPKLIDSGDGLIVTVTSIAAIEVYDGGAGYTAAKHAQGALHRTLRGELLGKPVRLTEIAPGAVETEFSLVRFDGDQQRADAVYAGMTPLVAADVAEVIGFVATRPSHVNLDQIVIRPRDQASASRRATHPVR
3RKU Chain:A ((33-280))
-------KKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVETEFSLVRYRGNEEQAKNVYKDTTPLMADDVADLIVYATSRKQNTVIADTLIFPTNQAS----------
General information:
TITO was launched using:
RESULT:
Template:
3RKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115082 for 1874 contacts (-61.4/contact) +
2D Compatibility (PS) -25148 + (NN) -7117 + (LL) 1204
1D Compatibility (HY) -16000 + (ID) 4600
Total energy: -166743.0 ( -88.98 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_3RKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RKU-query.scw
PDB file :
Tito_Scwrl_3RKU.pdb
: