Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEQFLKDNFSLEGKVALITGASYGIGFSIATAFARAGATIVFNDIKQELVDKGISAYKKLGIKAHGYVCDVTDEDGINEMVDKISQDVGVIDILVNNAGIIKRTPMLEMSAADFRQVIDIDLNAPFIVSKAVLPGMIQKGHGKIINICSMMSELGRETVAAYAAAKGGLKMLTKNIASEYGSANIQCNGIGPGYIATPQTAPLRERQDDGSRHPFDQFIIAKTPAARWGEAEDLGAPAIFLASDASNFINGHILYVDGGILAYIGKQPQ
4BNY Chain:B ((23-266))
---------MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA--------------EWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREA--------LLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS------
General information:
TITO was launched using:
RESULT:
Template:
4BNY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176412 for 1947 contacts (-90.6/contact) +
2D Compatibility (PS) -24843 + (NN) -7225 + (LL) 2760
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -226070.0 ( -116.11 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_4BNY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNY-query.scw
PDB file :
Tito_Scwrl_4BNY.pdb
: