Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKAILVVSFGTSYPETREKTIEACEKRVAHEFPDYTVFRAFTSNKIIKKLKTRDNMHINTPSQALNQLKELGYKEVIIQSLHIISGGEFEKITAQVEKFKPDFDSIIVSQPLLDSMEDYEKAIEAIRHQMPPLKEQEALILMGHGSKHHAFSAYACLDHMLLNE--PIYLCAVESYPGLDQVIERLQQADIKKAHLMPFMLVAGDHATNDMASDEENSWKSTLEQAGIQTECHLQGLGENPLIQSQFIDHIHTAIERVKTRG
2XWP Chain:A ((2-256))
-KKALLVVSFGTSYHDTCEKNIVACERDLAASCPDRDLFRAFTSGMIIRKLRQRDGIDIDTPLQALQKLAAQGYQDVAIQSLHIINGDEYEKIVREVQLLRPLFTRLTLGVPLLSSHNDYVQLMQALRQQMPSLRQTEKVVFMGHGASHHAFAAYACLDHMMTAQRFPARVGAVESYPEVDILIDSLRDEGVTGVHLMPLMLVAGDHAINDMASDDGDSWKMRFNAAGIPATPWLSGLGENPAIRAMFVAHLHQAL-------
General information:
TITO was launched using:
RESULT:
Template:
2XWP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -182703 for 2161 contacts (-84.5/contact) +
2D Compatibility (PS) -27801 + (NN) -12780 + (LL) 648
1D Compatibility (HY) -25600 + (ID) 6700
Total energy: -254936.0 ( -117.97 by residue)
QMean score : 0.614
(partial model without unconserved sides chains):
PDB file :
Tito_2XWP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XWP-query.scw
PDB file :
Tito_Scwrl_2XWP.pdb
: