Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIKNKVIIITGASSGIGKATAL--LLAEKG-AKLVLAARRVEKLEKIVQTIKAN--SGEAIFAKTDVTKREDNKKLVELAIERYGKVDAIFLNAG-IMPNSPLSALKEDEWEQMIDINIKGVLNGIAAVLPSFIAQKSGHIIATSSVAGLKAYPGGAVYGATKWAVRDLMEVLRMESAQEGTNIRTVTIYPAAINTELLETITDKETEQGMTSLYKQYGITP---DRIASIVAYAIDQPEDVNVNEFTVGPTSQPW
3RKU Chain:D ((34-278))
-----KTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELIN--TKIRVILIAPGLVETE-FSLVRYRGNEEQAKNVYKD--TTPLMADDVADLIVYATSRKQNTVIADTLIFPTNQ--
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) -121764 for 1898 contacts (-64.2/contact) +
2D Compatibility (PS) -25672 + (NN) -12423 + (LL) 492
1D Compatibility (HY) -14400 + (ID) 4300
Total energy: -178067.0 ( -93.82 by residue)
QMean score : 0.616
(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
: