Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADLRYLPHWLDAPLASAWLLRLEQETPWEQPIL---RIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRK---GQT---RIAHS-LELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3BTX Chain:A ((31-202))
----------------------------------LEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHIGEHRDDCRELAPGSPIASVSFGASRDFVFRHKDSRGKSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKI----
General information:
TITO was launched using:
RESULT:
Template:
3BTX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39727 for 1102 contacts (-36.0/contact) +
2D Compatibility (PS) -17083 + (NN) -3164 + (LL) 2452
1D Compatibility (HY) -10400 + (ID) 3450
Total energy: -71372.0 ( -64.77 by residue)
QMean score : 0.378
(partial model without unconserved sides chains):
PDB file :
Tito_3BTX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BTX-query.scw
PDB file :
Tito_Scwrl_3BTX.pdb
: