Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFLDHEKRRQLLNERHSCKMFDSHYEFSSTELEEIAEIARLSPSSYNTQPWHFVMVTNKDLKKQIAAHSYFNEEMIKSASALMVVC----SLKPSELLPTSHYMQNLYPESYKVRVIPSFAQMLGVRFNHSMQKLESYILEQCYIAVGQICMGVSLMGLDSCIIGGFDPLKVGEILEERINKPKIVCLIALGKRVAEASKKSRKSKVDAITWL
3GBH Chain:A ((13-203))
----------EVLNSRKSVKVFDENYKIPREEMDEIITKATKAPSSVNMQPWRIAVVQSDEMKEKVKESFGFNSRQLTTSSAMLIIFGDLQNYEKAEQIYGDAVEQQLMTEDIKAQLLD---WILPYYKNLSREGMKDIVNIDSSLMAMQLMLTAKAHGYDTNPIGGFDKENIADIIGYDSDRYVPVLAIAIGKKAQDAHDSVRLPIDDVREFL
General information:
TITO was launched using:
RESULT:
Template:
3GBH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136974 for 1373 contacts (-99.8/contact) +
2D Compatibility (PS) -19737 + (NN) -3479 + (LL) 1164
1D Compatibility (HY) -10800 + (ID) 2450
Total energy: -172276.0 ( -125.47 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_3GBH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GBH-query.scw
PDB file :
Tito_Scwrl_3GBH.pdb
: