Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSTNNLTPSSLREAFGHFPTGVVAIAAEVDGVRQGLAASTFVPVSLEPPLVSFCVQNTSTTWPKLTGVPMLGISVLGEAHDAAVRTLAAK-TGDRFAGLETVSN-DAGAVFIKGTSVWLESAIEQLVPAGDHTIVVLRVNQVKVDPNVAPIVFHRSVLRRLGV
4R82 Chain:A ((14-176))
--LVDPKDRVQLRRVFGDFPTGVTVVTVG-GSEPRGMTANSFTSVSLSPPLVLICVGKDAVMHQRLTALPTFAVSVLEAGQEKAARHFADHS-VDQFDTVDWVLGEESGAPLIAGAVAHLECAIHRLYEGGDHTIFLGEVITATRWPAREGMLFSGGRFRRFA-
General information:
TITO was launched using:
RESULT:
Template:
4R82.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109788 for 1202 contacts (-91.3/contact) +
2D Compatibility (PS) -17839 + (NN) -7504 + (LL) 564
1D Compatibility (HY) -9600 + (ID) 2600
Total energy: -146767.0 ( -122.10 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_4R82.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4R82-query.scw
PDB file :
Tito_Scwrl_4R82.pdb
: