Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKPVTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTERKVGYLFQNLALFPNMNVYENIAFGLKVKKKKKKEQAEIQQQVRKMSDYLQISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
4TQU Chain:S ((13-215))
----RYDKTTVVHGVSLDIEPGEFVV-LVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVIND------LAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKK---SVIDAAVKTAADILGLQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQ---
General information:
TITO was launched using:
RESULT:
Template:
4TQU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129653 for 1562 contacts (-83.0/contact) +
2D Compatibility (PS) -22084 + (NN) -7686 + (LL) 1516
1D Compatibility (HY) -18400 + (ID) 3900
Total energy: -180207.0 ( -115.37 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_4TQU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TQU-query.scw
PDB file :
Tito_Scwrl_4TQU.pdb
: