Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGVGKMASAIIQGLKQTQHDIVISGSCLERSKEIAERLDVTYAESHQSLINQADIIMLGIKPQLFEKVLLPLDITKPIISMAAGISLARLSQLTRSDLPLIRIMPNINAQILQSCTAICYNNHVSDELRQLTKEITDSFGSSFDIAETNFDTFTALAGSSPAYIYLFIEALAKAGVKYGFPKEQALSIVGQTVLASSQNLLQGQNSTSDLIDNICSPGGTTIAGLLDLEKNGLTHSVISAIDATIEKAKKL
2AHR Chain:A ((5-259))
-KIGIIGVGKMASAIIKGLKQTPHELIISGSSLERSKEIAEQLALPYAMSHQDLIDQVDLVILGIKPQLFETVLKPLHFKQPIISMAAGISLQRLATFVGQDLPLLRIMPNMNAQILQSSTALTGNALVSQELQARVRDLTDSFGSTFDISEKDFDTFTALAGSSPAYIYLFIEALAKAGVKNGIPKAKALEIVTQTVLASASNLKTSSQSPHDFIDAICSPGGTTIAGLMELERLGLTATVSSAIDKTIDKAKSL
General information:
TITO was launched using:
RESULT:
Template:
2AHR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170873 for 1866 contacts (-91.6/contact) +
2D Compatibility (PS) -27456 + (NN) -7850 + (LL) 208
1D Compatibility (HY) -29200 + (ID) 8900
Total energy: -244071.0 ( -130.80 by residue)
QMean score : 0.530
(partial model without unconserved sides chains):
PDB file :
Tito_2AHR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AHR-query.scw
PDB file :
Tito_Scwrl_2AHR.pdb
: