Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIAIFASGSGSNFQALV---DDEFIKPYVKLLVCDKPNAYVLERANKHDIPVFLFEAKNYPDKEAFETEILLELRRLEIDLLVLAGYMRLIGPTLLAEFPEQIVNLHPSLLPEFKGKDAIGQAIQANVSGTGVTAHFVDAGMDTGPIIDQVKVTIETAETTDTLAEKIHQVEHIFYPKVIRGLIQNGGND
3KCQ Chain:C ((9-190))
LRVGVLISGRGSNLEALAKAFSTEESSVVISCVISNNAEARGLLIAQSYGIPTFVVKRKPL-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) -149302 for 1407 contacts (-106.1/contact) +
2D Compatibility (PS) -19718 + (NN) -12511 + (LL) 20
1D Compatibility (HY) -16400 + (ID) 3150
Total energy: -201061.0 ( -142.90 by residue)
QMean score : 0.549
(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
: