Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIKIQKIHPNALIPKYQTEGSSGFDLHAVEEVVIKPHSVGLVRIGICLSLEVGYELQVRTRSGLALNHQVMVLNSPGTVDNDYRGEIKVILANLSDKDFKVQVGDRIAQGVVQKTYKAEFIECEQLDETSRGSGGFGSTGVSKA
3CA9 Chain:A ((22-141))
----VKKLVESATTPMRGSEGAAGYDISSVEDVVVPAMGRIAVSTGISIRVPDGTYGRIAPRSGLAYKYGIDVL--AGVIDEDYTGEVKVILYNTTERDYIIKKGDRIAQLILEQIVTPGVAVVLD-------------------
General information:
TITO was launched using:
RESULT:
Template:
3CA9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80568 for 825 contacts (-97.7/contact) +
2D Compatibility (PS) -12746 + (NN) -2722 + (LL) 400
1D Compatibility (HY) -7200 + (ID) 2000
Total energy: -104836.0 ( -127.07 by residue)
QMean score : 0.465
(partial model without unconserved sides chains):
PDB file :
Tito_3CA9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CA9-query.scw
PDB file :
Tito_Scwrl_3CA9.pdb
: