Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVP-VCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVE--LAPHKIRVNSVSPGYILTELVEPYTEYQPLW--EPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
4RF3 Chain:B ((25-271))
--------LKGKVAIVTGGTLGIGLAIADKFVEEGAKVVITGRHADVGEKAAKSIG--GTDVIRFVQHDASDEAGWTKLFDTTEEAFGPVTTVVNNAGIFVSKSVEDTTTEEWRKLLSVNLDGVFFGTRLGIQRMKNKGLGASIINMSSIEGFVGD--PTLGAYNASKGAVRIMSKSAALDCALKDYDVRVNTVHPGYIKTPLVDDLEGAEEMMSQRTKTPMGHIGEPNDIAWICVYLASDESKFATGAEFVVDGGYTA-
General information:
TITO was launched using:
RESULT:
Template:
4RF3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171683 for 2071 contacts (-82.9/contact) +
2D Compatibility (PS) -26532 + (NN) -12625 + (LL) 640
1D Compatibility (HY) -14800 + (ID) 4600
Total energy: -229600.0 ( -110.86 by residue)
QMean score : 0.593
(partial model without unconserved sides chains):
PDB file :
Tito_4RF3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RF3-query.scw
PDB file :
Tito_Scwrl_4RF3.pdb
: