Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYTE---YQPLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
4J2H Chain:A ((7-253))
-----IFDLSGRRALVTGASRGIGQSIAVALAEAGAHVAVTARTVEGLAETRALIEKTGRRAVALAQDVRDVEACASVTRAAAEGLGGLDILVNNAGFENVRPSFDVDEALWDTIVSTNLKGAFFCAQAAGR-IMADANGGAIVNLCSLTSY-VGIPTAVP-YGASKSGLLGVTRALATEWAAHNIRVNAIAPGYFRTAMTAGFYEDEDWQSRMLEKIPQRRFGKESDIGGVAVFLCSDAAAYITGHCIPADGGY---
General information:
TITO was launched using:
RESULT:
Template:
4J2H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161201 for 2151 contacts (-74.9/contact) +
2D Compatibility (PS) -26412 + (NN) -12200 + (LL) 832
1D Compatibility (HY) -17600 + (ID) 4750
Total energy: -221331.0 ( -102.90 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_4J2H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4J2H-query.scw
PDB file :
Tito_Scwrl_4J2H.pdb
: