Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MLTIDYNSYRTTTPYGKRVRFLVLHYTALDFAASVKALTTGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNL-ARDDDGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAGIGAWYDDATRDRYREGFERDGLPPRADLLEAFRLYGYALPATVDDAYFASLLRAFQMHFRPENYDGALDVETAAILYALNEKYPA-
3D2Y Chain:A ((5-261))
EKGIVEKEGYQLDTRRQAQAAYPRIKVLVIHYTADDFDSSLATLTDKQVSSHYLVPAVPPRYNG-----KPRIWQLVPEQELAWHAGISAWRGATRLNDTSIGIELENRGWQKSAGVKYFAPFEPAQIQALIPLAKDIIARYH-IKPENVVAHADIAPQRKDDPGPLFPWQQLAQQGIGAWPDAQRVNFYLAGRAPHTPVDTASLLELLARYGYDVKPDMTPREQRRVIMAFQMHFRPTLYNGEADAETQAIAEALLEKYGQD
General information:
TITO was launched using:
RESULT:
Template:
3D2Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110773 for 1949 contacts (-56.8/contact) +
2D Compatibility (PS) -27327 + (NN) -19876 + (LL) 236
1D Compatibility (HY) -15600 + (ID) 5350
Total energy: -178690.0 ( -91.68 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_3D2Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D2Y-query.scw
PDB file :
Tito_Scwrl_3D2Y.pdb
: