Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAYPFNHKEFVAMMEQ----YNLKSNSITIPEHTILNDLVTENRDCVYLLKSGILAGYIDF--DNDKIYSIFTSNFFMGYYTIFD-NSSLVLTYQTLTECELIIYKKKDIEYSLSLFPENFSFQYTIMRTIAKHGY----YKSLLQYRDKKDQLAFVFEMLVKILDIPVEDGVAVLPKSISTTVIKNYCTLSKAFFYSQLKELKEAGIISKVKLQWRINMEALSEKNNSIN
3KCC Chain:A ((59-257))
--------------DPTLEWFLSHCHIHKYPSKSTLIHQGEK-AETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQERSAWVRAKTACEVAEISYKKFRQLIQ---VNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMTHP--DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY------------
General information:
TITO was launched using:
RESULT:
Template:
3KCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125915 for 1332 contacts (-94.5/contact) +
2D Compatibility (PS) -19858 + (NN) -1910 + (LL) 2268
1D Compatibility (HY) -4400 + (ID) 1500
Total energy: -151315.0 ( -113.60 by residue)
QMean score : 0.388
(partial model without unconserved sides chains):
PDB file :
Tito_3KCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCC-query.scw
PDB file :
Tito_Scwrl_3KCC.pdb
: