Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRQARPEDRFDIAKLVYMVWDDMELELVKHLPKDMVLDAIEKSCVDATYRTFYQHILVYEVENKVAGCIISYSGENELKYEKAWELLDLPEEIKQYGTPLPVKEAKDDEYYIETIATFAAYRGRGIATKLLTSLLES---N-THVKWSLNCDINNEAALKLYKKVGFISDGQIELYKHMYHHLIVK
3DSB Chain:A ((8-148))
EIREARMDDLDTIAKFNYNLAKETEGKEL---DMDVLTKGVKALLLDE----RKGKYHVYTVFDKVVAQIMYTYEWSD--------------------------WRNGNFLWIQSVYVDKEYRRKGIFNYLFNYIKNICDKDENIVGMRLYVEKENINAKATYESLNMYECDYN-------------
General information:
TITO was launched using:
RESULT:
Template:
3DSB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81396 for 892 contacts (-91.3/contact) +
2D Compatibility (PS) -14303 + (NN) -4584 + (LL) 4020
1D Compatibility (HY) -6000 + (ID) 1450
Total energy: -103713.0 ( -116.27 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_3DSB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DSB-query.scw
PDB file :
Tito_Scwrl_3DSB.pdb
: