Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MADCDSVTNSPLATATATLHTNRGDIKIALFGNHAPKTVANFVGLAQGTKDYSTQNASGGPSGPFYDGAVFHRVIQGFMIQGGDPTGTGRGGP---GYKFADEFHPELQFDKPYLLAMANAGPGTNGSQFFITVGKTPHLNRRHTIFGEVIDAESQRVVEAISKTATDGNDRPTDPVVIESITIS
2X7K Chain:A ((16-159))
------------------LETSMGIIVLELYWKHAPKTCKNFAELARRG---------------YYNGTKFHRIIKDFMIQGGDPTGTGRGGASIYGKQFEDELHPDLKFTGAGILAMANAGPDTNGSQFFVTLAPTQWLDGKHTIFGRV--CQGIGMVNRVGMVETNSQDRPVDDVKI------
General information:
TITO was launched using:
RESULT:
Template:
2X7K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74535 for 1076 contacts (-69.3/contact) +
2D Compatibility (PS) -15091 + (NN) -11112 + (LL) 1060
1D Compatibility (HY) -12400 + (ID) 3750
Total energy: -115828.0 ( -107.65 by residue)
QMean score : 0.640
(partial model without unconserved sides chains):
PDB file :
Tito_2X7K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2X7K-query.scw
PDB file :
Tito_Scwrl_2X7K.pdb
: