Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTS-GGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYTEYQPL---WEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
2WSB Chain:D ((1-252))
MDYRTVFRLDGACAAVTGAGSGIGLEICRAFAASGARLILIDREAAALDRAAQELGAAVAARIVADVTDAEAMTAAAAEAEAVAP----VSILVNSAGIARLHDALETDDATWRQVMAVNVDGMFWASRAFGRAMVARG-AGAIVNLGSMSGTIVNRPQFASSYMASKGAVHQLTRALAAEWAGRGVRVNALAPGYVATEMTLKMRERPELFETWLDMTPMGRCGEPSEIAAAALFLASPAASYVTGAILAVDGGYT--
General information:
TITO was launched using:
RESULT:
Template:
2WSB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158074 for 2184 contacts (-72.4/contact) +
2D Compatibility (PS) -27113 + (NN) -12267 + (LL) -28
1D Compatibility (HY) -13200 + (ID) 4700
Total energy: -215382.0 ( -98.62 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_2WSB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WSB-query.scw
PDB file :
Tito_Scwrl_2WSB.pdb
: