Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGG-KVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYTE-YQPLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
2PNF Chain:A ((5-246))
--------LQGKVSLVTGSTRGIGRAIAEKLASAGSTVIITGTSGERAKAVAEEIANKYGVKAHGVEMNLLSEESINKAFEEIYNLVDGIDILVNNAGITRDKLFLRMSLLDWEEVLKVNLTGTFLVTQNSLRKMIKQ-RWGRIVNISSVVGFTGNVGQ--VNYSTTKAGLIGFTKSLAKELAPRNVLVNAVAPGFIETDMTAVLSEEIKQKYKEQIPLGRFGSPEEVANVVLFLCSELASYITGEVIHVNGG----
General information:
TITO was launched using:
RESULT:
Template:
2PNF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161665 for 2060 contacts (-78.5/contact) +
2D Compatibility (PS) -25763 + (NN) -8290 + (LL) 904
1D Compatibility (HY) -17200 + (ID) 4450
Total energy: -216464.0 ( -105.08 by residue)
QMean score : 0.607
(partial model without unconserved sides chains):
PDB file :
Tito_2PNF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PNF-query.scw
PDB file :
Tito_Scwrl_2PNF.pdb
: