Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADLRYLPHWLDAPLASAWLLRLEQETPWEQPIL---RIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRK---GQT---RIAHS-LELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3H8O Chain:A ((33-204))
----------------------------------LEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHIGEHRDDCRELAPGSPIASVSFGASRDFVFRHKDSRGKSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKI----
General information:
TITO was launched using:
RESULT:
Template:
3H8O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33935 for 1053 contacts (-32.2/contact) +
2D Compatibility (PS) -17479 + (NN) -5935 + (LL) 2452
1D Compatibility (HY) -10400 + (ID) 3450
Total energy: -68747.0 ( -65.29 by residue)
QMean score : 0.357
(partial model without unconserved sides chains):
PDB file :
Tito_3H8O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H8O-query.scw
PDB file :
Tito_Scwrl_3H8O.pdb
: