Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLLVVASLVLYGHSTQDFPETNARVVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRE---LTFRVVVGEHNLNQNDGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGT---ILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSY---WGSTVKNSMVCAGG-DGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN
4JZE Chain:H ((1-242))
--------------------------IVGGKVCPKGECPWQVLLLVN--G--AQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTT--NHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQ--GCATVGHFGVYTRVSQYIEWLQKLMRSE
General information:
TITO was launched using:
RESULT:
Template:
4JZE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174211 for 1940 contacts (-89.8/contact) +
2D Compatibility (PS) -25462 + (NN) -7410 + (LL) 2716
1D Compatibility (HY) -14400 + (ID) 4050
Total energy: -222817.0 ( -114.85 by residue)
QMean score : 0.593
(partial model without unconserved sides chains):
PDB file :
Tito_4JZE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JZE-query.scw
PDB file :
Tito_Scwrl_4JZE.pdb
: