Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFADAPLTLPDADL-RYLPHWLDAPLASAWLLRLEQETPWEQP---ILRIHGEEHPTPRLVAWYGDPDAAYRYSGQVHRPLPWTALLGEIRERVEREVGQRVNGVLLNYYRDGQDSMGWHSDDEPELRRDPLVASLSLGGSRRFDLRRKGQT-------RIAHSLELTHGSLLVMRGATQHHWQHQVAKTRRSCMPRLNLTFRLVYPQP
3S57 Chain:A ((7-203))
-----------RAEGLDSSYTVLFGKAEADEIFQELEKEVEYFTGALARVQVFGKWHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNFVLINRYKDGSDHICEHRDDERELAPGSPIASVSFGASRDFVFRHKDSRGKSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKIL---
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) -57186 for 1361 contacts (-42.0/contact) +
2D Compatibility (PS) -19861 + (NN) -8115 + (LL) 756
1D Compatibility (HY) -11200 + (ID) 3350
Total energy: -98956.0 ( -72.71 by residue)
QMean score : 0.424
(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
: