Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIAIFASGSGSNFQALV---DDEFIKPYVKLLVCDKPNAYVLERANKHDIPVFLFEAKNYPDKEAFETEILLELRRLEIDLLVLAGYMRLIGPTLLAEFPEQIVNLHPSLLPEFKGKDAIGQAIQANVSGTGVTAHFVDAGMDTGPIIDQVKVTIETAETTDTLAEKIHQVEHIFYPKVIRGLIQNGGND
3KCQ Chain:D ((9-190))
LRVGVLISGRGSNLEALAKAFS---SSVVISCVISNNAEARGLLIAQSYGIPTFVVKRKPL-DIEHISTV----LREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQD----
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) -147482 for 1385 contacts (-106.5/contact) +
2D Compatibility (PS) -19467 + (NN) -12815 + (LL) 180
1D Compatibility (HY) -16800 + (ID) 3100
Total energy: -199484.0 ( -144.03 by residue)
QMean score : 0.550
(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
: