Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFE-KANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
3JS3 Chain:B ((7-256))
--KVQVKNITIGEGRPKICVPIIGKNKKDIIKEAKELKDACLDIIEWRVDFFENVENIKEVKEVLYELRSYIHDIPLLFTFRSVVEGGEKLISRDYYTTLNKEISNTGLVDLIDVELFMGDEVIDEVVNFAHKKEVKVIISNHDFNKTPKKEEIVSRLCRMQELGADLPKIAVMPQNEKDVLVLLEATNEMFKIYADRPIITMSMSGMGVISRLCGEIFGSALTFGAAKSVSAPGQISFKELNSVLNLLHKS-
General information:
TITO was launched using:
RESULT:
Template:
3JS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134068 for 2154 contacts (-62.2/contact) +
2D Compatibility (PS) -27338 + (NN) -12848 + (LL) 260
1D Compatibility (HY) -29600 + (ID) 7250
Total energy: -210844.0 ( -97.88 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_3JS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JS3-query.scw
PDB file :
Tito_Scwrl_3JS3.pdb
: