Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFLDHEKRRQLLNERHSCKMFDSHYEFSSTELEEIAEIARLSPSSYNTQPWHFVMVTNKDLKKQIAAHSYFNEEMIKSASALMVVCSLKPSELLPTSHYMQNLYPESYK-VRVIPSFAQMLG------VRFNHSMQKLESYILEQCYIAVGQICMGVSLMGLDSCIIGGFDPLKVGEILEER----INKPKIVCLIALGKRVAEA-SKKSRKSKVDAITWL
2HAY Chain:A ((8-223))
----IHHQIQQALHFRTAVRVYKE-EKISDEDLALILDAAWLSPSSIGLEGWRFVVLDNKPIKEEIKPFAWGAQYQLETASHFILLIAEKHARYDSPAI-KNSLLRRGIKEGDGLNSRLKLYESFQKEDMDMADNPRALFDWTAKQTYIALGNMMMTAALLGIDTCPIEGFHYDKVNHILAKHNVIDLEKEGIASMLSLGYRLRDPKHAQVRKPKEEVMSVV
General information:
TITO was launched using:
RESULT:
Template:
2HAY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111696 for 1470 contacts (-76.0/contact) +
2D Compatibility (PS) -21697 + (NN) -3102 + (LL) 716
1D Compatibility (HY) -14800 + (ID) 2600
Total energy: -153179.0 ( -104.20 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_2HAY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HAY-query.scw
PDB file :
Tito_Scwrl_2HAY.pdb
: