Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEQFLKDNFSLEGKVALITGASYGIGFSIATAFARAGATIVFNDIKQELVDKGISAYKKLGIKAHGYVCDVTDEDGINEMVDKISQDVGVIDILVNNAGIIKRTPMLEMSAADFRQVIDIDLNAPFIVSKAVLPGMIQKGHGKIINICSMMSELGRETVAAYAAAKGGLKMLTKNIASEYGSANIQCNGIGPGYIATPQTAPLRERQDDGSRHPFDQFIIAKTPAARWGEAEDLGAPAIFLASDASNFINGHILYVDGGILAYIGKQPQ
4BNU Chain:B ((17-266))
---NLYFQSMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA-------------DEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREA--------LLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS------
General information:
TITO was launched using:
RESULT:
Template:
4BNU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172093 for 1957 contacts (-87.9/contact) +
2D Compatibility (PS) -25267 + (NN) -4841 + (LL) 2280
1D Compatibility (HY) -16800 + (ID) 4350
Total energy: -221071.0 ( -112.96 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_4BNU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNU-query.scw
PDB file :
Tito_Scwrl_4BNU.pdb
: