Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADLRYLPHWLDAPLASAWLLRLEQETPW---EQPILRIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRKGQTRIA-------HSLELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3BTX Chain:A ((1-204))
----ASWRHIRAEGLDSSYTVLFGKAEADEIFQELEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHIGEHRDDCRELAPGSPIASVSFGASRDFVFRHKDSRGKSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKILL--
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) -57697 for 1429 contacts (-40.4/contact) +
2D Compatibility (PS) -20912 + (NN) -9139 + (LL) 420
1D Compatibility (HY) -9600 + (ID) 3350
Total energy: -100278.0 ( -70.17 by residue)
QMean score : 0.403
(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
: