Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLQGKVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLVAEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNAGITRDNLLMRMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASVVGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTDMTDKLDEKTKEAMLAQIPLGAYGTTEDIANAVLFLASDASKYITGQTLSVDGGMVM
4BNW Chain:A ((23-268))
MSLQGKVALVTGASRGIGQAIALELGRLGA-VVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGI-------RMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYM
General information:
TITO was launched using:
RESULT:
Template:
4BNW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137802 for 2082 contacts (-66.2/contact) +
2D Compatibility (PS) -25796 + (NN) -6345 + (LL) 476
1D Compatibility (HY) -20400 + (ID) 6250
Total energy: -196117.0 ( -94.20 by residue)
QMean score : 0.602
(partial model without unconserved sides chains):
PDB file :
Tito_4BNW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNW-query.scw
PDB file :
Tito_Scwrl_4BNW.pdb
: