Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADLRYLPHWLDAPLASAWLLRLEQETPWEQPIL---RIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRK---GQT---RIAHS-LELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3S57 Chain:A ((31-202))
----------------------------------LEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHICEHRDDERELAPGSPIASVSFGASRDFVFRHKDSRGKSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKI----
General information:
TITO was launched using:
RESULT:
Template:
3S57.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42419 for 1092 contacts (-38.8/contact) +
2D Compatibility (PS) -16757 + (NN) -1548 + (LL) 2452
1D Compatibility (HY) -10400 + (ID) 3450
Total energy: -72122.0 ( -66.05 by residue)
QMean score : 0.374
(partial model without unconserved sides chains):
PDB file :
Tito_3S57.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S57-query.scw
PDB file :
Tito_Scwrl_3S57.pdb
: