Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLQGKVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLVAEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNAGITRDNLLMRMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASVVGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTDMTDKLDEKTKEAMLAQIPLGAYGTTEDIANAVLFLASDASKYITGQTLSVDGGMVM
4BNZ Chain:D ((23-268))
MSLQGKVALVTGASRGIGQAIALELGRLGA-VVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGIT-----VRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYM
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) -138854 for 2086 contacts (-66.6/contact) +
2D Compatibility (PS) -25747 + (NN) -5039 + (LL) 216
1D Compatibility (HY) -20800 + (ID) 6300
Total energy: -196524.0 ( -94.21 by residue)
QMean score : 0.571
(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
: