Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADLRYLPHWLDAPLASAWLLRLEQETPWEQPIL---RIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRK---GQT---RIAHS-LELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3H8R Chain:A ((33-204))
----------------------------------LEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHIGEHRDDCRELAPGSPIASVSFGASRDFVFRHKDSRGKSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKI----
General information:
TITO was launched using:
RESULT:
Template:
3H8R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38783 for 1108 contacts (-35.0/contact) +
2D Compatibility (PS) -17091 + (NN) -4181 + (LL) 2452
1D Compatibility (HY) -10400 + (ID) 3450
Total energy: -71453.0 ( -64.49 by residue)
QMean score : 0.394
(partial model without unconserved sides chains):
PDB file :
Tito_3H8R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H8R-query.scw
PDB file :
Tito_Scwrl_3H8R.pdb
: