Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVP-VCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVE--LAPHKIRVNSVSPGYILTELVEPYTEYQPLW--EPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
4RF2 Chain:B ((25-271))
--------LKGKVAIVTGGTLGIGLAIADKFVEEGAKVVITGRHADVGEKAAKSIG--GTDVIRFVQHDASDEAGWTKLFDTTEEAFGPVTTVVNNAGIAVSKSVEDTTTEEWRKLLSVNLDGVFFGTRLGIQRMKNKGLGASIINMSSIEGFVGD--PTLGAYNASKGAVRIMSKSAALDCALKDYDVRVNTVHPGYIKTPLVDDLEGAEEMMSQRTKTPMGHIGEPNDIAWICVYLASDESKFATGAEFVVDGGYTA-
General information:
TITO was launched using:
RESULT:
Template:
4RF2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174219 for 2111 contacts (-82.5/contact) +
2D Compatibility (PS) -26396 + (NN) -11555 + (LL) 640
1D Compatibility (HY) -14000 + (ID) 4600
Total energy: -230130.0 ( -109.01 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_4RF2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RF2-query.scw
PDB file :
Tito_Scwrl_4RF2.pdb
: