Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADLRYLPHWLDAPLASAWLLRLEQETPWEQPIL---RIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRK---GQT---RIAHS-LELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3BUC Chain:A ((30-201))
----------------------------------LEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHICEHRDDERELAPGSPIASVSFGASRDFVFRHKDSR---PSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKI----
General information:
TITO was launched using:
RESULT:
Template:
3BUC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41773 for 1104 contacts (-37.8/contact) +
2D Compatibility (PS) -16772 + (NN) -4205 + (LL) 2452
1D Compatibility (HY) -10400 + (ID) 3400
Total energy: -74098.0 ( -67.12 by residue)
QMean score : 0.360
(partial model without unconserved sides chains):
PDB file :
Tito_3BUC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BUC-query.scw
PDB file :
Tito_Scwrl_3BUC.pdb
: