Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA
3KCQ Chain:A ((7-202))
--KELRVGVLISGRGSNLEALAKAFST-ESSVVISCVISNNAEARGLLIAQSYGIPTFVVKRK-----PLDIEHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQDKIKLCDDGTVQCTGEDELFLFQEN-------
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) -148564 for 1555 contacts (-95.5/contact) +
2D Compatibility (PS) -21802 + (NN) -13656 + (LL) 624
1D Compatibility (HY) -18800 + (ID) 4050
Total energy: -206248.0 ( -132.64 by residue)
QMean score : 0.551
(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
: