Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPVSYTRKDSIAVISMDDGKVNALGPAMQQALNAAIDNADRDD-VGALVITGNGRVFSGGFDLKILTSGEVQP-AIDMLRGGFELAYRLLSYPKPVVMACTGHAIAMGAFLLSCGDHRVAAHAYNIQANEVAIGMTIPYAALEIMKLRLTRSAYQQATGLAKTFFGETALAAGFIDEIALPEVVVSRAEEAAREFAGLNQHAHAATKLRSRADALTAIRAGIDGIAAEFGL
3PEA Chain:A ((4-228))
MLKFLSVRVEDHIAVATLNHAPANAMSSQVMHDVTELIDQVEKDDNIRVVVIHGEGRFFSAGADIKEFTSVTEAKQATELAQLGQVTFERVEKCSKPVIAAIHGAALGGGLEFAMSCHMRFATESAKLGLPELTLGLIPGFAGTQRLPRYVGKAKACEMMLTSTPITGAEALKWGLVNGVFAEETFLDDTLKVAKQIAGKSPATARAVLELLQTTKSSHYYEGVQ--------
General information:
TITO was launched using:
RESULT:
Template:
3PEA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155782 for 1862 contacts (-83.7/contact) +
2D Compatibility (PS) -24895 + (NN) -15677 + (LL) 560
1D Compatibility (HY) -6000 + (ID) 2450
Total energy: -204244.0 ( -109.69 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_3PEA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PEA-query.scw
PDB file :
Tito_Scwrl_3PEA.pdb
: