Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPVSYTRKDSIAVISMDDGKVNALGPAMQQALNAAIDNADRDD-VGALVITGNGRVFSGGFDLKILTS-GEVQPAIDMLRGGFELAYRLLSYPKPVVMACTGHAIAMG-AFLLSCGDHRVAAHAYNIQANEVAIGMTIPYAALEIMKLRLTRSAYQQATGLAKTFFGETALAAGFIDEIALPEVVVSRAEEAAREFAGLNQHAHAATKLRSRADALTAIRAGIDGIAAEFGL
3PEA Chain:A ((13-202))
---------EDHIAVATLNHAPANAMSSQVMHDVTELIDQVEKDDNIRVVVIHGEGRFFSAGADIKEFTSVTEAKQATELAQLGQVTFERVEKCSKPVIAAIHGAALGGGLEFAMSC-HMRFATESAKLGLPELTLGLIPGFAGTQRLPRYVGKAKACEMMLTSTPITGAEALKWGLVNGVFAEETFLDDTLKVAKQIAG----------------------------------
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) -152271 for 1554 contacts (-98.0/contact) +
2D Compatibility (PS) -20766 + (NN) -10182 + (LL) 2948
1D Compatibility (HY) -6800 + (ID) 2450
Total energy: -189521.0 ( -121.96 by residue)
QMean score : 0.530
(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
: