Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA
3KCQ Chain:D ((7-200))
--KELRVGVLISGRGSNLEALAKAFS---SSVVISCVISNNAEARGLLIAQSYGIPTFVVKRKPL-DIEHISTVLRE----HDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQDKIKLCDDGTVQCTGEDELFLFQE--------
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) -146170 for 1518 contacts (-96.3/contact) +
2D Compatibility (PS) -21680 + (NN) -15310 + (LL) 852
1D Compatibility (HY) -20000 + (ID) 4150
Total energy: -206458.0 ( -136.01 by residue)
QMean score : 0.543
(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
: