Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLQENKTAIFDNVSKLALKAGRAPESVHIVAVTKY----VNCQTTEALI-RTGVNHIGENRVDKFLEKYQA-LKDEKLTWHLIGSLQRRKVKDVINYVDYFHALDSVKLAAEIQKR----AQKPVKCFLQVNISREDSKHGFTI-EQIDDALNLISRYDKIELIGIMTMAPLKATK--EEISSIFEETESLRKRLQARNIERMPFTELSMGMSRDYDIAIQNGSTFVRIGTSFFK
3E5P Chain:A ((10-229))
-RLHIDTQAITENVQKECQRLP---EGTALFAVVKANGYGHGAVESAKAAKKGGATGFCVALLDEAIELREAGVQ--D-PILILSVVDLAYVPLLIQY-DLSVTVATQEWLEAALQQLTPESNTPLRVHLKVDTGM--GRIGFLTPEETKQAVRFVQSHKEFLWEGIFTHFSTADEIDTSYFEKQAGRFKAVLAVLEE------LPRYVHVSNSATALWHPDVPGNMIRYGVAMYG
General information:
TITO was launched using:
RESULT:
Template:
3E5P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124950 for 1685 contacts (-74.2/contact) +
2D Compatibility (PS) -21788 + (NN) -2761 + (LL) 1372
1D Compatibility (HY) -6000 + (ID) 1600
Total energy: -155727.0 ( -92.42 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_3E5P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E5P-query.scw
PDB file :
Tito_Scwrl_3E5P.pdb
: