Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQFEHLVQVNDRTLVDLPVLDRLQLWEGLVCRAREPQYFVVGLERFEILVDDG---DRLHRRLYLPGLVVEDEVVLKAPDSAHYSIK--PSAEVAGGSLDMTIEEPEPGSLFVRFAYCTRYLQPLGDELPYDAFVKQAYIAMDVETIATIRDRFGASAASGS
4CRI Chain:A ((27-145))
------SFVGLRVVAKWS--SNGYFYSGKITRDV-------GAGKYKLLFDDGYECDVLGKDILLCDPIPLDTEVTALSEDEYFSAGVVKGHRKESGELYYSIEKEGQRKWYKRMA-----------------------VILSLEQGNRLREQYGLGP----
General information:
TITO was launched using:
RESULT:
Template:
4CRI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52662 for 783 contacts (-67.3/contact) +
2D Compatibility (PS) -11683 + (NN) 2938 + (LL) 3452
1D Compatibility (HY) -5600 + (ID) 1200
Total energy: -64755.0 ( -82.70 by residue)
QMean score : 0.213
(partial model without unconserved sides chains):
PDB file :
Tito_4CRI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CRI-query.scw
PDB file :
Tito_Scwrl_4CRI.pdb
: