Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----------MSAIAKFFRNVSSEMHKVTWPTRKELLTYTVTVVITVVLFALFFMLIDFGIEQIIKLIV---------------------------------
1PU1 Chain:A ((1-91))
MSLRKLTEGDLDEISSFLHNTISDFIL-KRVSAKEIVDIDITVLVEY----------TDELKVDISAELYLDELSDADPGIVDEAVDAAYRSLESFLDGFRE
General information:
TITO was launched using:
RESULT:
Template:
1PU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20550 for 238 contacts (-86.3/contact) +
2D Compatibility (PS) -5615 + (NN) -3398 + (LL) 1864
1D Compatibility (HY) -4000 + (ID) 450
Total energy: -32149.0 ( -135.08 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_1PU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PU1-query.scw
PDB file :
Tito_Scwrl_1PU1.pdb
: