Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKAILVVSFGTSYPETREKTIEACEKRVAHEFPDYTVFRAFTSNKIIKKLKTRDNMHINTPSQALNQLKELGYKEVIIQSLHIISGGEFEKITAQVEKFKPDFDSIIVSQPLLDSMEDYEKAIEAIRHQMPPLKEQEALILMGHGSKHHAFSAYACLDHMLL--NEPIYLCAVESYPGLDQVIERLQQADIKKAHLMPFMLVAGDHATNDMASDEENSWKSTLEQAGIQTECHLQGLGENPLIQSQFIDHIHTAIERVKTRG
2XWP Chain:A ((2-258))
-KKALLVVSFGTSYHDTCEKNIVACERDLAASCPDRDLFRAFTSGMIIRKLRQRDGIDIDTPLQALQKLAAQGYQDVAIQSLHIINGDEYEKIVREVQLLRPLFTRLTLGVPLLSSHNDYVQLMQALRQQMPSLRQTEKVVFMGHGASHHAFAAYACLDHMMTAQRFPARVGAVESYPEVDILIDSLRDEGVTGVHLMPLMLVAGDHAINDMASDDGDSWKMRFNAAGIPATPWLSGLGENPAIRAMFVAHLHQALNM-----
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) -180692 for 2179 contacts (-82.9/contact) +
2D Compatibility (PS) -28076 + (NN) -12933 + (LL) 444
1D Compatibility (HY) -25600 + (ID) 6700
Total energy: -253557.0 ( -116.36 by residue)
QMean score : 0.621
(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
: