Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLLVVASLVLYGHSTQDFPETNARVVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDR---ELTFRVVVGEHNLNQNDGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSYWGSTVKNSMVCAGG-DGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN
3BG8 Chain:A ((1-237))
--------------------------IVGGTASVRGEWPWQVTLHTTSP-TQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAE--SGYDIALLKLETTVNYTDSQRPISLPSKGERNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKR-YRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGE--GCAQRERPGVYTNVVEYVDWILEKTQA-
General information:
TITO was launched using:
RESULT:
Template:
3BG8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174398 for 1976 contacts (-88.3/contact) +
2D Compatibility (PS) -25493 + (NN) -10663 + (LL) 2700
1D Compatibility (HY) -15200 + (ID) 4150
Total energy: -227204.0 ( -114.98 by residue)
QMean score : 0.620
(partial model without unconserved sides chains):
PDB file :
Tito_3BG8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BG8-query.scw
PDB file :
Tito_Scwrl_3BG8.pdb
: