Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADLRYLPHWLDAPLASAWLLRLEQETPWEQPIL---RIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRK---GQT---RIAHS-LELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3S5A Chain:A ((31-202))
----------------------------------LEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHICEHRDDERELAPGSPIASVSFGASRDFVFRHKDSRGKSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKI----
General information:
TITO was launched using:
RESULT:
Template:
3S5A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44518 for 1108 contacts (-40.2/contact) +
2D Compatibility (PS) -16696 + (NN) -2530 + (LL) 2452
1D Compatibility (HY) -10400 + (ID) 3450
Total energy: -75142.0 ( -67.82 by residue)
QMean score : 0.323
(partial model without unconserved sides chains):
PDB file :
Tito_3S5A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S5A-query.scw
PDB file :
Tito_Scwrl_3S5A.pdb
: