Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIAIFASGSGSNFQALVDDEFIK---PYVKLLVCDKPNAYVLERANKHDIPVFLFEAKNYPDKEAFETEILLELRRLEIDLLVLAGYMRLIGPTLLAEFPEQIVNLHPSLLPEFKGKDAIGQAIQANVSGTGVTAHFVDAGMDTGPIIDQVKVTIETAETTDTLAEKIHQVEHIFYPKVIRGLIQNGGND
3KCQ Chain:A ((9-192))
LRVGVLISGRGSNLEALAKAFST-ESSVVISCVISNNAEARGLLIAQSYGIPTFVVKRKP-----LDIEHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQDKI--
General information:
TITO was launched using:
RESULT:
Template:
3KCQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159856 for 1452 contacts (-110.1/contact) +
2D Compatibility (PS) -19795 + (NN) -11795 + (LL) -48
1D Compatibility (HY) -14800 + (ID) 3000
Total energy: -209294.0 ( -144.14 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_3KCQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCQ-query.scw
PDB file :
Tito_Scwrl_3KCQ.pdb
: