Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEQFLKDNFSLEGKVALITGASYGIGFSIATAFARAGATIVFNDIKQELVDKGISAYKKLGIKAHGYVCDVTDEDGINEMVDKISQDVGVIDILVNNAGIIKRTPMLEMSAADFRQVIDIDLNAPFIVSKAVLPGMIQKGHGKIINICSMMSELGRETVAAYAAAKGGLKMLTKNIASEYGSANIQCNGIGPGYIATPQTAPLRERQDDGSRHPFDQFIIAKTPAARWGEAEDLGAPAIFLASDASNFINGHILYVDGGILAYIGKQPQ
4BNZ Chain:B ((17-266))
---NLYFQSMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRD--------DEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVV-----AGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREA--------LLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS------
General information:
TITO was launched using:
RESULT:
Template:
4BNZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173707 for 1978 contacts (-87.8/contact) +
2D Compatibility (PS) -25389 + (NN) -6215 + (LL) 2060
1D Compatibility (HY) -16400 + (ID) 4400
Total energy: -224051.0 ( -113.27 by residue)
QMean score : 0.540
(partial model without unconserved sides chains):
PDB file :
Tito_4BNZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNZ-query.scw
PDB file :
Tito_Scwrl_4BNZ.pdb
: