Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYMKNEQDIRSQGVYYSAGLRSYLTKVYNYMALALGITGLIAFLTVFFDLFQVIYSNPVLSIVVILSPIVLVFYMSHRLQYLSAQSTVTVFFLFSVLMGLSLSYIFIVYTTENIARAFFITSIMFGSMALYGNSTKKDLTSMGSFLIMGIWGLIIASIVNLFLGSSPL----YFAISFISVIVFTLMTAYDAQRIKDVYYRYNDGSEAVTTKLAIFGATNLYFDFINVFLNLLRLLNLFNNRD
4PGU Chain:A ((102-215))
--------------------------------------------------------------------------------------------------------------------EAFGSTFVIFAVLGTIGAKMKKDLSFLWSFLLVAVLALAVVGIFNIF---SPLNSAAMMAYSVIGTIVFSLYILYDLNQIK---HRH------ITEDLIPVMALSLYLDFINLFINLLRFFGILSS--
General information:
TITO was launched using:
RESULT:
Template:
4PGU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63658 for 701 contacts (-90.8/contact) +
2D Compatibility (PS) -11275 + (NN) -2871 + (LL) 11224
1D Compatibility (HY) -16800 + (ID) 2250
Total energy: -85630.0 ( -122.15 by residue)
QMean score : 0.252
(partial model without unconserved sides chains):
PDB file :
Tito_4PGU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PGU-query.scw
PDB file :
Tito_Scwrl_4PGU.pdb
: