Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAVIRVDSLNKTFARKQALFNLRLEIQAGEMVALIGASGSGKSTLLRHVAGLARCDRDNGGSIDVLGRRLQASGRLSGEVRRLRADIGYIFQQFNLVNRLSVLDNVLLGFLGRMPRWRGSLGLFSAEQKRQALEALARVGLADFAGQRASTLSGGQQQRVAIARALTQKAEVILADEPIASLDPESARKVMDILADINRHDGKTVVVTLHQVDYALRYCPRAVALKGGRILFDGSSEYLSEGFLNELYGAEGDTPLLFSDRARRGAESQPELTLARA
2PCL Chain:A ((2-218))
-AEILRAENIKKVIRGYEILKGISLSVKKGEFVSIIGASGSGKSTLL-YILGL--LDAPTEGKVFLEGKEVDYTNEKELSLLRNR-KLGFVFQFHYLIPELTALENVIVPML--------KMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKIN-EGGTSIVMVTHERELA-ELTHRTLEMKDGKVV----------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2PCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -150341 for 1755 contacts (-85.7/contact) +
2D Compatibility (PS) -23255 + (NN) -5294 + (LL) 3344
1D Compatibility (HY) -18000 + (ID) 3750
Total energy: -197296.0 ( -112.42 by residue)
QMean score : 0.410
(partial model without unconserved sides chains):
PDB file :
Tito_2PCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PCL-query.scw
PDB file :
Tito_Scwrl_2PCL.pdb
: