Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQEPLRVPPSAPARLVVLASGTGSLLRSLLDAA-VGDYPARVVAVGVDR-ECRAAEIAAEASVPVFTVRLADHPSRDAWDVAITAATAAHEPDLVVSAGFMRILGPQFLSRFYGRTLNTHPALLPAFPGTHGVADALAYGVKVTGATVHLVDAGTDTGPILAQQPVPVLDGDDEETLHERIKVTERRLLVAAVAALATHGVTVV-GRTATMGRKVTIG
3KCQ Chain:A ((7-203))
----------KELRVGVLISGRGSNLEALAKAFST-ESSVVISCVISNNAEARGLLIAQSYGIPTFVVKRKP-----LDIEHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQDKIKLCDDGTVQCT------
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) -159574 for 1538 contacts (-103.8/contact) +
2D Compatibility (PS) -22255 + (NN) -15472 + (LL) 620
1D Compatibility (HY) -12000 + (ID) 3200
Total energy: -211881.0 ( -137.76 by residue)
QMean score : 0.573
(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
: