Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTMIKNGDSIAVVNGDIELSYKDIDRQSNSFANGLLKAGFKCGDKIVLQLPNYHEFIIIAFAMFKVGIIPIMSLPAHRKNELKGIIEKSEAVAYIAKDKYLGFSYVDMIRDIKIESDREFKVYILGEGDEFKKFSELNDNNYIYQKTEVDYKNIGLLLLSGGTTRIPKLIPRRHCDYLYVAKKTSIISGMDRGSIYLAALPMAHNFPLCCPGILGTFAVGGKVVVCEVTSPDEILPLIEEEKVTITGFVPAIANICMDYLQYEDYDLSSLKIL
1MDB Chain:A ((37-303))
-----KYGDRIAITCGNTHWSYRELDTRADRLAAGFQKLGIQQKDRVVVQLPNIKEFFEVIFALFRLGALPVFALPSHRSSEITYFCEFAEAAAYIIPDAYSGFDYRSLARQVQSKLPTLKNIIVAGEAEEFLPLEDLHTEPV--KLPEVKSSDVAFLQLSGGSTGLSKLIPRTHDDYIYSLKRSVEVCWLDHSTVYLAALPMAHNYPLSSPGVLGVLYAGGRVVLSPSPSPDDAFPLIEREKVTITALVPPLAMVWMDAASSRRDDLSSLQVL
General information:
TITO was launched using:
RESULT:
Template:
1MDB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -199838 for 2204 contacts (-90.7/contact) +
2D Compatibility (PS) -28714 + (NN) -4838 + (LL) 1144
1D Compatibility (HY) -21600 + (ID) 5550
Total energy: -259396.0 ( -117.69 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_1MDB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1MDB-query.scw
PDB file :
Tito_Scwrl_1MDB.pdb
: